# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/20f7059f-7ffa-4c61-975f-6f80224abd5d/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for SrLi4N2 / I4_1/amd (141) / materials id 15845](https://mdr.nims.go.jp/datasets/562bb5c8-725a-4153-a5d2-49eada28020b) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 01:44:48]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: Supercell: [2 2 1] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4_1/amd (141)Number of symmetry operations in supercell: 128------------------------------ primitive cell ------------------------------Lattice vectors: a -1.891366075000000 1.891366075000000 13.337170765000000 b 1.891366075000000 -1.891366075000000 13.337170765000000 c 1.891366075000000 1.891366075000000 -13.337170765000000Atomic positions (fractional): *1 Li 0.64630965524459 0.14630965524459 0.50000000000000 6.941 2 Li 0.89630965524459 0.89630965524459 0.00000000000000 6.941 *3 Li 0.32199429683200 0.82199429683200 0.50000000000000 6.941 4 Li 0.57199429683200 0.57199429683200 0.00000000000000 6.941 5 Li 0.42800570316800 0.42800570316800 0.00000000000000 6.941 6 Li 0.10369034475541 0.10369034475541 0.00000000000000 6.941 7 Li 0.85369034475541 0.35369034475541 0.50000000000000 6.941 8 Li 0.17800570316800 0.67800570316800 0.50000000000000 6.941 *9 N 0.18199022427833 0.18199022427833 0.00000000000000 14.007 10 N 0.93199022427833 0.43199022427833 0.50000000000000 14.007 11 N 0.56800977572167 0.06800977572167 0.50000000000000 14.007 12 N 0.81800977572167 0.81800977572167 0.00000000000000 14.007 *13 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 14 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620-------------------------------- unit cell ---------------------------------Lattice vectors: a 3.782732150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.782732150000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.674341530000000Atomic positions (fractional): *1 Li 0.00000000000000 0.50000000000000 0.14630965524459 6.941 > 1 2 Li 0.50000000000000 0.50000000000000 0.39630965524459 6.941 > 2 *3 Li 0.50000000000000 0.00000000000000 0.32199429683200 6.941 > 3 4 Li 0.50000000000000 0.50000000000000 0.07199429683200 6.941 > 4 5 Li 0.00000000000000 0.00000000000000 0.42800570316800 6.941 > 5 6 Li 0.00000000000000 0.00000000000000 0.10369034475541 6.941 > 6 7 Li 0.00000000000000 0.50000000000000 0.35369034475541 6.941 > 7 8 Li 0.50000000000000 0.00000000000000 0.17800570316800 6.941 > 8 9 Li 0.50000000000000 0.00000000000000 0.64630965524459 6.941 > 1 10 Li 0.00000000000000 0.00000000000000 0.89630965524459 6.941 > 2 11 Li 0.00000000000000 0.50000000000000 0.82199429683200 6.941 > 3 12 Li 0.00000000000000 0.00000000000000 0.57199429683200 6.941 > 4 13 Li 0.50000000000000 0.50000000000000 0.92800570316800 6.941 > 5 14 Li 0.50000000000000 0.50000000000000 0.60369034475541 6.941 > 6 15 Li 0.50000000000000 0.00000000000000 0.85369034475541 6.941 > 7 16 Li 0.00000000000000 0.50000000000000 0.67800570316800 6.941 > 8 *17 N 0.00000000000000 0.00000000000000 0.18199022427833 14.007 > 9 18 N 0.00000000000000 0.50000000000000 0.43199022427833 14.007 > 10 19 N 0.00000000000000 0.50000000000000 0.06800977572167 14.007 > 11 20 N 0.50000000000000 0.50000000000000 0.31800977572167 14.007 > 12 21 N 0.50000000000000 0.50000000000000 0.68199022427833 14.007 > 9 22 N 0.50000000000000 0.00000000000000 0.93199022427833 14.007 > 10 23 N 0.50000000000000 0.00000000000000 0.56800977572167 14.007 > 11 24 N 0.00000000000000 0.00000000000000 0.81800977572167 14.007 > 12 *25 Sr 0.00000000000000 0.50000000000000 0.25000000000000 87.620 > 13 26 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 14 27 Sr 0.50000000000000 0.00000000000000 0.75000000000000 87.620 > 13 28 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 14-------------------------------- super cell --------------------------------Lattice vectors: a 7.565464300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.565464300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.674341530000000Atomic positions (fractional): *1 Li 0.00000000000000 0.25000000000000 0.14630965524459 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.14630965524459 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.14630965524459 6.941 > 1 4 Li 0.50000000000000 0.75000000000000 0.14630965524459 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.39630965524459 6.941 > 2 6 Li 0.75000000000000 0.25000000000000 0.39630965524459 6.941 > 2 7 Li 0.25000000000000 0.75000000000000 0.39630965524459 6.941 > 2 8 Li 0.75000000000000 0.75000000000000 0.39630965524459 6.941 > 2 *9 Li 0.25000000000000 0.00000000000000 0.32199429683200 6.941 > 3 10 Li 0.75000000000000 0.00000000000000 0.32199429683200 6.941 > 3 11 Li 0.25000000000000 0.50000000000000 0.32199429683200 6.941 > 3 12 Li 0.75000000000000 0.50000000000000 0.32199429683200 6.941 > 3 13 Li 0.25000000000000 0.25000000000000 0.07199429683200 6.941 > 4 14 Li 0.75000000000000 0.25000000000000 0.07199429683200 6.941 > 4 15 Li 0.25000000000000 0.75000000000000 0.07199429683200 6.941 > 4 16 Li 0.75000000000000 0.75000000000000 0.07199429683200 6.941 > 4 17 Li 0.00000000000000 0.00000000000000 0.42800570316800 6.941 > 5 18 Li 0.50000000000000 0.00000000000000 0.42800570316800 6.941 > 5 19 Li 0.00000000000000 0.50000000000000 0.42800570316800 6.941 > 5 20 Li 0.50000000000000 0.50000000000000 0.42800570316800 6.941 > 5 21 Li 0.00000000000000 0.00000000000000 0.10369034475541 6.941 > 6 22 Li 0.50000000000000 0.00000000000000 0.10369034475541 6.941 > 6 23 Li 0.00000000000000 0.50000000000000 0.10369034475541 6.941 > 6 24 Li 0.50000000000000 0.50000000000000 0.10369034475541 6.941 > 6 25 Li 0.00000000000000 0.25000000000000 0.35369034475541 6.941 > 7 26 Li 0.50000000000000 0.25000000000000 0.35369034475541 6.941 > 7 27 Li 0.00000000000000 0.75000000000000 0.35369034475541 6.941 > 7 28 Li 0.50000000000000 0.75000000000000 0.35369034475541 6.941 > 7 29 Li 0.25000000000000 0.00000000000000 0.17800570316800 6.941 > 8 30 Li 0.75000000000000 0.00000000000000 0.17800570316800 6.941 > 8 31 Li 0.25000000000000 0.50000000000000 0.17800570316800 6.941 > 8 32 Li 0.75000000000000 0.50000000000000 0.17800570316800 6.941 > 8 33 Li 0.25000000000000 0.00000000000000 0.64630965524459 6.941 > 1 34 Li 0.75000000000000 0.00000000000000 0.64630965524459 6.941 > 1 35 Li 0.25000000000000 0.50000000000000 0.64630965524459 6.941 > 1 36 Li 0.75000000000000 0.50000000000000 0.64630965524459 6.941 > 1 37 Li 0.00000000000000 0.00000000000000 0.89630965524459 6.941 > 2 38 Li 0.50000000000000 0.00000000000000 0.89630965524459 6.941 > 2 39 Li 0.00000000000000 0.50000000000000 0.89630965524459 6.941 > 2 40 Li 0.50000000000000 0.50000000000000 0.89630965524459 6.941 > 2 41 Li 0.00000000000000 0.25000000000000 0.82199429683200 6.941 > 3 42 Li 0.50000000000000 0.25000000000000 0.82199429683200 6.941 > 3 43 Li 0.00000000000000 0.75000000000000 0.82199429683200 6.941 > 3 44 Li 0.50000000000000 0.75000000000000 0.82199429683200 6.941 > 3 45 Li 0.00000000000000 0.00000000000000 0.57199429683200 6.941 > 4 46 Li 0.50000000000000 0.00000000000000 0.57199429683200 6.941 > 4 47 Li 0.00000000000000 0.50000000000000 0.57199429683200 6.941 > 4 48 Li 0.50000000000000 0.50000000000000 0.57199429683200 6.941 > 4 49 Li 0.25000000000000 0.25000000000000 0.92800570316800 6.941 > 5 50 Li 0.75000000000000 0.25000000000000 0.92800570316800 6.941 > 5 51 Li 0.25000000000000 0.75000000000000 0.92800570316800 6.941 > 5 52 Li 0.75000000000000 0.75000000000000 0.92800570316800 6.941 > 5 53 Li 0.25000000000000 0.25000000000000 0.60369034475541 6.941 > 6 54 Li 0.75000000000000 0.25000000000000 0.60369034475541 6.941 > 6 55 Li 0.25000000000000 0.75000000000000 0.60369034475541 6.941 > 6 56 Li 0.75000000000000 0.75000000000000 0.60369034475541 6.941 > 6 57 Li 0.25000000000000 0.00000000000000 0.85369034475541 6.941 > 7 58 Li 0.75000000000000 0.00000000000000 0.85369034475541 6.941 > 7 59 Li 0.25000000000000 0.50000000000000 0.85369034475541 6.941 > 7 60 Li 0.75000000000000 0.50000000000000 0.85369034475541 6.941 > 7 61 Li 0.00000000000000 0.25000000000000 0.67800570316800 6.941 > 8 62 Li 0.50000000000000 0.25000000000000 0.67800570316800 6.941 > 8 63 Li 0.00000000000000 0.75000000000000 0.67800570316800 6.941 > 8 64 Li 0.50000000000000 0.75000000000000 0.67800570316800 6.941 > 8 *65 N 0.00000000000000 0.00000000000000 0.18199022427833 14.007 > 9 66 N 0.50000000000000 0.00000000000000 0.18199022427833 14.007 > 9 67 N 0.00000000000000 0.50000000000000 0.18199022427833 14.007 > 9 68 N 0.50000000000000 0.50000000000000 0.18199022427833 14.007 > 9 69 N 0.00000000000000 0.25000000000000 0.43199022427833 14.007 > 10 70 N 0.50000000000000 0.25000000000000 0.43199022427833 14.007 > 10 71 N 0.00000000000000 0.75000000000000 0.43199022427833 14.007 > 10 72 N 0.50000000000000 0.75000000000000 0.43199022427833 14.007 > 10 73 N 0.00000000000000 0.25000000000000 0.06800977572167 14.007 > 11 74 N 0.50000000000000 0.25000000000000 0.06800977572167 14.007 > 11 75 N 0.00000000000000 0.75000000000000 0.06800977572167 14.007 > 11 76 N 0.50000000000000 0.75000000000000 0.06800977572167 14.007 > 11 77 N 0.25000000000000 0.25000000000000 0.31800977572167 14.007 > 12 78 N 0.75000000000000 0.25000000000000 0.31800977572167 14.007 > 12 79 N 0.25000000000000 0.75000000000000 0.31800977572167 14.007 > 12 80 N 0.75000000000000 0.75000000000000 0.31800977572167 14.007 > 12 81 N 0.25000000000000 0.25000000000000 0.68199022427833 14.007 > 9 82 N 0.75000000000000 0.25000000000000 0.68199022427833 14.007 > 9 83 N 0.25000000000000 0.75000000000000 0.68199022427833 14.007 > 9 84 N 0.75000000000000 0.75000000000000 0.68199022427833 14.007 > 9 85 N 0.25000000000000 0.00000000000000 0.93199022427833 14.007 > 10 86 N 0.75000000000000 0.00000000000000 0.93199022427833 14.007 > 10 87 N 0.25000000000000 0.50000000000000 0.93199022427833 14.007 > 10 88 N 0.75000000000000 0.50000000000000 0.93199022427833 14.007 > 10 89 N 0.25000000000000 0.00000000000000 0.56800977572167 14.007 > 11 90 N 0.75000000000000 0.00000000000000 0.56800977572167 14.007 > 11 91 N 0.25000000000000 0.50000000000000 0.56800977572167 14.007 > 11 92 N 0.75000000000000 0.50000000000000 0.56800977572167 14.007 > 11 93 N 0.00000000000000 0.00000000000000 0.81800977572167 14.007 > 12 94 N 0.50000000000000 0.00000000000000 0.81800977572167 14.007 > 12 95 N 0.00000000000000 0.50000000000000 0.81800977572167 14.007 > 12 96 N 0.50000000000000 0.50000000000000 0.81800977572167 14.007 > 12 *97 Sr 0.00000000000000 0.25000000000000 0.25000000000000 87.620 > 13 98 Sr 0.50000000000000 0.25000000000000 0.25000000000000 87.620 > 13 99 Sr 0.00000000000000 0.75000000000000 0.25000000000000 87.620 > 13 100 Sr 0.50000000000000 0.75000000000000 0.25000000000000 87.620 > 13 101 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 14 102 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 14 103 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 14 104 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 14 105 Sr 0.25000000000000 0.00000000000000 0.75000000000000 87.620 > 13 106 Sr 0.75000000000000 0.00000000000000 0.75000000000000 87.620 > 13 107 Sr 0.25000000000000 0.50000000000000 0.75000000000000 87.620 > 13 108 Sr 0.75000000000000 0.50000000000000 0.75000000000000 87.620 > 13 109 Sr 0.25000000000000 0.25000000000000 0.50000000000000 87.620 > 14 110 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 > 14 111 Sr 0.25000000000000 0.75000000000000 0.50000000000000 87.620 > 14 112 Sr 0.75000000000000 0.75000000000000 0.50000000000000 87.620 > 14----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.2400050 0.0000000 0.0000000 0.0000000 6.2400050 0.0000000 0.0000000 0.0000000 6.9991477-------------------------- Born effective charges -------------------------- 1 Li 0.4498742 0.0000000 0.0000000 0.0000000 0.8965094 0.0000000 0.0000000 0.0000000 1.0140220 2 Li 0.8965094 0.0000000 0.0000000 0.0000000 0.4498742 0.0000000 0.0000000 0.0000000 1.0140220 3 Li 0.8054482 0.0000000 0.0000000 0.0000000 1.0072875 0.0000000 0.0000000 0.0000000 0.9183448 4 Li 1.0072875 0.0000000 0.0000000 0.0000000 0.8054482 0.0000000 0.0000000 0.0000000 0.9183448 5 Li 0.8054482 0.0000000 0.0000000 0.0000000 1.0072875 0.0000000 0.0000000 0.0000000 0.9183448 6 Li 0.4498742 0.0000000 0.0000000 0.0000000 0.8965094 0.0000000 0.0000000 0.0000000 1.0140220 7 Li 0.8965094 0.0000000 0.0000000 0.0000000 0.4498742 0.0000000 0.0000000 0.0000000 1.0140220 8 Li 1.0072875 0.0000000 0.0000000 0.0000000 0.8054482 0.0000000 0.0000000 0.0000000 0.9183448 9 N -2.1318663 0.0000000 0.0000000 0.0000000 -2.7483083 0.0000000 0.0000000 0.0000000 -2.9737881 10 N -2.7483083 0.0000000 0.0000000 0.0000000 -2.1318663 0.0000000 0.0000000 0.0000000 -2.9737881 11 N -2.1318663 0.0000000 0.0000000 0.0000000 -2.7483083 0.0000000 0.0000000 0.0000000 -2.9737881 12 N -2.7483083 0.0000000 0.0000000 0.0000000 -2.1318663 0.0000000 0.0000000 0.0000000 -2.9737881 13 Sr 1.7210553 0.0000000 0.0000000 0.0000000 1.7210553 0.0000000 0.0000000 0.0000000 2.0828424 14 Sr 1.7210553 0.0000000 0.0000000 0.0000000 1.7210553 0.0000000 0.0000000 0.0000000 2.0828424----------------------------------------------------------------------------Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".-------------------------------- Symfc start -------------------------------Symfc version 1.5.4 (https://github.com/symfc/symfc)Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024)Computing [2] order force constants.Permutation basis: 336/336Permutation basis: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 559Number of blocks in projector: 573Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 252Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 147Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 28Use standard eigh solver.Tree of FC basis block matrices:- (559, 548), data: False|-- (28, 28), data: True|-- (132, 128), data: True|-- (147, 147), data: True|-- (252, 245), data: True-----Solver_atoms: 1 -- 112 / 112Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 160 - Time: 0.459Solver_block: 160 / 160 - Time: 0.315Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.787--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336Permutation basis: 8736/8736Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 559Number of blocks in projector: 573Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 4--- Eigsh_solver_block: 1 / 4 ---Block_size: 252Use standard eigh solver.--- Eigsh_solver_block: 2 / 4 ---Block_size: 147Use standard eigh solver.--- Eigsh_solver_block: 3 / 4 ---Block_size: 132Use standard eigh solver.--- Eigsh_solver_block: 4 / 4 ---Block_size: 28Use standard eigh solver.Tree of FC basis block matrices:- (559, 548), data: False|-- (28, 28), data: True|-- (132, 128), data: True|-- (147, 147), data: True|-- (252, 245), data: TrueMax drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5".---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d)----------------------------------------------------------------------------Summary of calculation was written in "phonopy.yaml".-------------------------[time 2026-01-08 01:44:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:44:57]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".Supercell (dim): [2 2 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4_1/amd (141)------------------------------ primitive cell ------------------------------Lattice vectors: a -1.891366075000000 1.891366075000000 13.337170765000000 b 1.891366075000000 -1.891366075000000 13.337170765000000 c 1.891366075000000 1.891366075000000 -13.337170765000000Atomic positions (fractional): 1 Li 0.64630965524459 0.14630965524459 0.50000000000000 6.941 2 Li 0.89630965524459 0.89630965524459 0.00000000000000 6.941 3 Li 0.32199429683200 0.82199429683200 0.50000000000000 6.941 4 Li 0.57199429683200 0.57199429683200 0.00000000000000 6.941 5 Li 0.42800570316800 0.42800570316800 0.00000000000000 6.941 6 Li 0.10369034475541 0.10369034475541 0.00000000000000 6.941 7 Li 0.85369034475541 0.35369034475541 0.50000000000000 6.941 8 Li 0.17800570316800 0.67800570316800 0.50000000000000 6.941 9 N 0.18199022427833 0.18199022427833 0.00000000000000 14.007 10 N 0.93199022427833 0.43199022427833 0.50000000000000 14.007 11 N 0.56800977572167 0.06800977572167 0.50000000000000 14.007 12 N 0.81800977572167 0.81800977572167 0.00000000000000 14.007 13 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 14 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620-------------------------------- supercell ---------------------------------Lattice vectors: a 7.565464300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.565464300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.674341530000000Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.14630965524459 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.14630965524459 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.14630965524459 6.941 > 1 4 Li 0.50000000000000 0.75000000000000 0.14630965524459 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.39630965524459 6.941 > 5 6 Li 0.75000000000000 0.25000000000000 0.39630965524459 6.941 > 5 7 Li 0.25000000000000 0.75000000000000 0.39630965524459 6.941 > 5 8 Li 0.75000000000000 0.75000000000000 0.39630965524459 6.941 > 5 9 Li 0.25000000000000 0.00000000000000 0.32199429683200 6.941 > 9 10 Li 0.75000000000000 0.00000000000000 0.32199429683200 6.941 > 9 11 Li 0.25000000000000 0.50000000000000 0.32199429683200 6.941 > 9 12 Li 0.75000000000000 0.50000000000000 0.32199429683200 6.941 > 9 13 Li 0.25000000000000 0.25000000000000 0.07199429683200 6.941 > 13 14 Li 0.75000000000000 0.25000000000000 0.07199429683200 6.941 > 13 15 Li 0.25000000000000 0.75000000000000 0.07199429683200 6.941 > 13 16 Li 0.75000000000000 0.75000000000000 0.07199429683200 6.941 > 13 17 Li 0.00000000000000 0.00000000000000 0.42800570316800 6.941 > 17 18 Li 0.50000000000000 0.00000000000000 0.42800570316800 6.941 > 17 19 Li 0.00000000000000 0.50000000000000 0.42800570316800 6.941 > 17 20 Li 0.50000000000000 0.50000000000000 0.42800570316800 6.941 > 17 21 Li 0.00000000000000 0.00000000000000 0.10369034475541 6.941 > 21 22 Li 0.50000000000000 0.00000000000000 0.10369034475541 6.941 > 21 23 Li 0.00000000000000 0.50000000000000 0.10369034475541 6.941 > 21 24 Li 0.50000000000000 0.50000000000000 0.10369034475541 6.941 > 21 25 Li 0.00000000000000 0.25000000000000 0.35369034475541 6.941 > 25 26 Li 0.50000000000000 0.25000000000000 0.35369034475541 6.941 > 25 27 Li 0.00000000000000 0.75000000000000 0.35369034475541 6.941 > 25 28 Li 0.50000000000000 0.75000000000000 0.35369034475541 6.941 > 25 29 Li 0.25000000000000 0.00000000000000 0.17800570316800 6.941 > 29 30 Li 0.75000000000000 0.00000000000000 0.17800570316800 6.941 > 29 31 Li 0.25000000000000 0.50000000000000 0.17800570316800 6.941 > 29 32 Li 0.75000000000000 0.50000000000000 0.17800570316800 6.941 > 29 33 Li 0.25000000000000 0.00000000000000 0.64630965524459 6.941 > 1 34 Li 0.75000000000000 0.00000000000000 0.64630965524459 6.941 > 1 35 Li 0.25000000000000 0.50000000000000 0.64630965524459 6.941 > 1 36 Li 0.75000000000000 0.50000000000000 0.64630965524459 6.941 > 1 37 Li 0.00000000000000 0.00000000000000 0.89630965524459 6.941 > 5 38 Li 0.50000000000000 0.00000000000000 0.89630965524459 6.941 > 5 39 Li 0.00000000000000 0.50000000000000 0.89630965524459 6.941 > 5 40 Li 0.50000000000000 0.50000000000000 0.89630965524459 6.941 > 5 41 Li 0.00000000000000 0.25000000000000 0.82199429683200 6.941 > 9 42 Li 0.50000000000000 0.25000000000000 0.82199429683200 6.941 > 9 43 Li 0.00000000000000 0.75000000000000 0.82199429683200 6.941 > 9 44 Li 0.50000000000000 0.75000000000000 0.82199429683200 6.941 > 9 45 Li 0.00000000000000 0.00000000000000 0.57199429683200 6.941 > 13 46 Li 0.50000000000000 0.00000000000000 0.57199429683200 6.941 > 13 47 Li 0.00000000000000 0.50000000000000 0.57199429683200 6.941 > 13 48 Li 0.50000000000000 0.50000000000000 0.57199429683200 6.941 > 13 49 Li 0.25000000000000 0.25000000000000 0.92800570316800 6.941 > 17 50 Li 0.75000000000000 0.25000000000000 0.92800570316800 6.941 > 17 51 Li 0.25000000000000 0.75000000000000 0.92800570316800 6.941 > 17 52 Li 0.75000000000000 0.75000000000000 0.92800570316800 6.941 > 17 53 Li 0.25000000000000 0.25000000000000 0.60369034475541 6.941 > 21 54 Li 0.75000000000000 0.25000000000000 0.60369034475541 6.941 > 21 55 Li 0.25000000000000 0.75000000000000 0.60369034475541 6.941 > 21 56 Li 0.75000000000000 0.75000000000000 0.60369034475541 6.941 > 21 57 Li 0.25000000000000 0.00000000000000 0.85369034475541 6.941 > 25 58 Li 0.75000000000000 0.00000000000000 0.85369034475541 6.941 > 25 59 Li 0.25000000000000 0.50000000000000 0.85369034475541 6.941 > 25 60 Li 0.75000000000000 0.50000000000000 0.85369034475541 6.941 > 25 61 Li 0.00000000000000 0.25000000000000 0.67800570316800 6.941 > 29 62 Li 0.50000000000000 0.25000000000000 0.67800570316800 6.941 > 29 63 Li 0.00000000000000 0.75000000000000 0.67800570316800 6.941 > 29 64 Li 0.50000000000000 0.75000000000000 0.67800570316800 6.941 > 29 65 N 0.00000000000000 0.00000000000000 0.18199022427833 14.007 > 65 66 N 0.50000000000000 0.00000000000000 0.18199022427833 14.007 > 65 67 N 0.00000000000000 0.50000000000000 0.18199022427833 14.007 > 65 68 N 0.50000000000000 0.50000000000000 0.18199022427833 14.007 > 65 69 N 0.00000000000000 0.25000000000000 0.43199022427833 14.007 > 69 70 N 0.50000000000000 0.25000000000000 0.43199022427833 14.007 > 69 71 N 0.00000000000000 0.75000000000000 0.43199022427833 14.007 > 69 72 N 0.50000000000000 0.75000000000000 0.43199022427833 14.007 > 69 73 N 0.00000000000000 0.25000000000000 0.06800977572167 14.007 > 73 74 N 0.50000000000000 0.25000000000000 0.06800977572167 14.007 > 73 75 N 0.00000000000000 0.75000000000000 0.06800977572167 14.007 > 73 76 N 0.50000000000000 0.75000000000000 0.06800977572167 14.007 > 73 77 N 0.25000000000000 0.25000000000000 0.31800977572167 14.007 > 77 78 N 0.75000000000000 0.25000000000000 0.31800977572167 14.007 > 77 79 N 0.25000000000000 0.75000000000000 0.31800977572167 14.007 > 77 80 N 0.75000000000000 0.75000000000000 0.31800977572167 14.007 > 77 81 N 0.25000000000000 0.25000000000000 0.68199022427833 14.007 > 65 82 N 0.75000000000000 0.25000000000000 0.68199022427833 14.007 > 65 83 N 0.25000000000000 0.75000000000000 0.68199022427833 14.007 > 65 84 N 0.75000000000000 0.75000000000000 0.68199022427833 14.007 > 65 85 N 0.25000000000000 0.00000000000000 0.93199022427833 14.007 > 69 86 N 0.75000000000000 0.00000000000000 0.93199022427833 14.007 > 69 87 N 0.25000000000000 0.50000000000000 0.93199022427833 14.007 > 69 88 N 0.75000000000000 0.50000000000000 0.93199022427833 14.007 > 69 89 N 0.25000000000000 0.00000000000000 0.56800977572167 14.007 > 73 90 N 0.75000000000000 0.00000000000000 0.56800977572167 14.007 > 73 91 N 0.25000000000000 0.50000000000000 0.56800977572167 14.007 > 73 92 N 0.75000000000000 0.50000000000000 0.56800977572167 14.007 > 73 93 N 0.00000000000000 0.00000000000000 0.81800977572167 14.007 > 77 94 N 0.50000000000000 0.00000000000000 0.81800977572167 14.007 > 77 95 N 0.00000000000000 0.50000000000000 0.81800977572167 14.007 > 77 96 N 0.50000000000000 0.50000000000000 0.81800977572167 14.007 > 77 97 Sr 0.00000000000000 0.25000000000000 0.25000000000000 87.620 > 97 98 Sr 0.50000000000000 0.25000000000000 0.25000000000000 87.620 > 97 99 Sr 0.00000000000000 0.75000000000000 0.25000000000000 87.620 > 97 100 Sr 0.50000000000000 0.75000000000000 0.25000000000000 87.620 > 97 101 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 101 102 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 101 103 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 101 104 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 101 105 Sr 0.25000000000000 0.00000000000000 0.75000000000000 87.620 > 97 106 Sr 0.75000000000000 0.00000000000000 0.75000000000000 87.620 > 97 107 Sr 0.25000000000000 0.50000000000000 0.75000000000000 87.620 > 97 108 Sr 0.75000000000000 0.50000000000000 0.75000000000000 87.620 > 97 109 Sr 0.25000000000000 0.25000000000000 0.50000000000000 87.620 > 101 110 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 > 101 111 Sr 0.25000000000000 0.75000000000000 0.50000000000000 87.620 > 101 112 Sr 0.75000000000000 0.75000000000000 0.50000000000000 87.620 > 101----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 6.2400050 0.0000000 0.0000000 0.0000000 6.2400050 0.0000000 0.0000000 0.0000000 6.9991477-------------------------- Born effective charges -------------------------- 1 Li 0.4498742 0.0000000 0.0000000 0.0000000 0.8965094 0.0000000 0.0000000 0.0000000 1.0140220 2 Li 0.8965094 0.0000000 0.0000000 0.0000000 0.4498742 0.0000000 0.0000000 0.0000000 1.0140220 3 Li 0.8054482 0.0000000 0.0000000 0.0000000 1.0072875 0.0000000 0.0000000 0.0000000 0.9183448 4 Li 1.0072875 0.0000000 0.0000000 0.0000000 0.8054482 0.0000000 0.0000000 0.0000000 0.9183448 5 Li 0.8054482 0.0000000 0.0000000 0.0000000 1.0072875 0.0000000 0.0000000 0.0000000 0.9183448 6 Li 0.4498742 0.0000000 0.0000000 0.0000000 0.8965094 0.0000000 0.0000000 0.0000000 1.0140220 7 Li 0.8965094 0.0000000 0.0000000 0.0000000 0.4498742 0.0000000 0.0000000 0.0000000 1.0140220 8 Li 1.0072875 0.0000000 0.0000000 0.0000000 0.8054482 0.0000000 0.0000000 0.0000000 0.9183448 9 N -2.1318663 0.0000000 0.0000000 0.0000000 -2.7483083 0.0000000 0.0000000 0.0000000 -2.9737881 10 N -2.7483083 0.0000000 0.0000000 0.0000000 -2.1318663 0.0000000 0.0000000 0.0000000 -2.9737881 11 N -2.1318663 0.0000000 0.0000000 0.0000000 -2.7483083 0.0000000 0.0000000 0.0000000 -2.9737881 12 N -2.7483083 0.0000000 0.0000000 0.0000000 -2.1318663 0.0000000 0.0000000 0.0000000 -2.9737881 13 Sr 1.7210553 0.0000000 0.0000000 0.0000000 1.7210553 0.0000000 0.0000000 0.0000000 2.0828424 14 Sr 1.7210553 0.0000000 0.0000000 0.0000000 1.7210553 0.0000000 0.0000000 0.0000000 2.0828424----------------------------------------------------------------------------Sets of supercell forces were read from "FORCES_FC3.xz".Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz".----------------------------- Force constants ------------------------------Computing fc3[ 1, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 9, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 65, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Computing fc3[ 97, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100]Expanding fc3.Symmetrizing fc3 by traditional approach (N=3).Symmetrizing fc2 by traditional approach (N=3).Max drift of fc3: -0.00000008 (xzx) -0.00000008 (xzx) -0.00000008 (xxz)fc3 was written into "fc3.hdf5".Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330----------- None of ph-ph interaction calculation was performed. -----------Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:45:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 01:45:08]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal structure was read from "phono3py.yaml".Supercell (dim): [2 2 1]Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5]Spacegroup: I4_1/amd (141)------------------------------ primitive cell ------------------------------Lattice vectors: a -1.891366075000000 1.891366075000000 13.337170765000000 b 1.891366075000000 -1.891366075000000 13.337170765000000 c 1.891366075000000 1.891366075000000 -13.337170765000000Atomic positions (fractional): 1 Li 0.64630965524459 0.14630965524459 0.50000000000000 6.941 2 Li 0.89630965524459 0.89630965524459 0.00000000000000 6.941 3 Li 0.32199429683200 0.82199429683200 0.50000000000000 6.941 4 Li 0.57199429683200 0.57199429683200 0.00000000000000 6.941 5 Li 0.42800570316800 0.42800570316800 0.00000000000000 6.941 6 Li 0.10369034475541 0.10369034475541 0.00000000000000 6.941 7 Li 0.85369034475541 0.35369034475541 0.50000000000000 6.941 8 Li 0.17800570316800 0.67800570316800 0.50000000000000 6.941 9 N 0.18199022427833 0.18199022427833 0.00000000000000 14.007 10 N 0.93199022427833 0.43199022427833 0.50000000000000 14.007 11 N 0.56800977572167 0.06800977572167 0.50000000000000 14.007 12 N 0.81800977572167 0.81800977572167 0.00000000000000 14.007 13 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 14 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620-------------------------------- supercell ---------------------------------Lattice vectors: a 7.565464300000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.565464300000000 0.000000000000000 c 0.000000000000000 0.000000000000000 26.674341530000000Atomic positions (fractional): 1 Li 0.00000000000000 0.25000000000000 0.14630965524459 6.941 > 1 2 Li 0.50000000000000 0.25000000000000 0.14630965524459 6.941 > 1 3 Li 0.00000000000000 0.75000000000000 0.14630965524459 6.941 > 1 4 Li 0.50000000000000 0.75000000000000 0.14630965524459 6.941 > 1 5 Li 0.25000000000000 0.25000000000000 0.39630965524459 6.941 > 5 6 Li 0.75000000000000 0.25000000000000 0.39630965524459 6.941 > 5 7 Li 0.25000000000000 0.75000000000000 0.39630965524459 6.941 > 5 8 Li 0.75000000000000 0.75000000000000 0.39630965524459 6.941 > 5 9 Li 0.25000000000000 0.00000000000000 0.32199429683200 6.941 > 9 10 Li 0.75000000000000 0.00000000000000 0.32199429683200 6.941 > 9 11 Li 0.25000000000000 0.50000000000000 0.32199429683200 6.941 > 9 12 Li 0.75000000000000 0.50000000000000 0.32199429683200 6.941 > 9 13 Li 0.25000000000000 0.25000000000000 0.07199429683200 6.941 > 13 14 Li 0.75000000000000 0.25000000000000 0.07199429683200 6.941 > 13 15 Li 0.25000000000000 0.75000000000000 0.07199429683200 6.941 > 13 16 Li 0.75000000000000 0.75000000000000 0.07199429683200 6.941 > 13 17 Li 0.00000000000000 0.00000000000000 0.42800570316800 6.941 > 17 18 Li 0.50000000000000 0.00000000000000 0.42800570316800 6.941 > 17 19 Li 0.00000000000000 0.50000000000000 0.42800570316800 6.941 > 17 20 Li 0.50000000000000 0.50000000000000 0.42800570316800 6.941 > 17 21 Li 0.00000000000000 0.00000000000000 0.10369034475541 6.941 > 21 22 Li 0.50000000000000 0.00000000000000 0.10369034475541 6.941 > 21 23 Li 0.00000000000000 0.50000000000000 0.10369034475541 6.941 > 21 24 Li 0.50000000000000 0.50000000000000 0.10369034475541 6.941 > 21 25 Li 0.00000000000000 0.25000000000000 0.35369034475541 6.941 > 25 26 Li 0.50000000000000 0.25000000000000 0.35369034475541 6.941 > 25 27 Li 0.00000000000000 0.75000000000000 0.35369034475541 6.941 > 25 28 Li 0.50000000000000 0.75000000000000 0.35369034475541 6.941 > 25 29 Li 0.25000000000000 0.00000000000000 0.17800570316800 6.941 > 29 30 Li 0.75000000000000 0.00000000000000 0.17800570316800 6.941 > 29 31 Li 0.25000000000000 0.50000000000000 0.17800570316800 6.941 > 29 32 Li 0.75000000000000 0.50000000000000 0.17800570316800 6.941 > 29 33 Li 0.25000000000000 0.00000000000000 0.64630965524459 6.941 > 1 34 Li 0.75000000000000 0.00000000000000 0.64630965524459 6.941 > 1 35 Li 0.25000000000000 0.50000000000000 0.64630965524459 6.941 > 1 36 Li 0.75000000000000 0.50000000000000 0.64630965524459 6.941 > 1 37 Li 0.00000000000000 0.00000000000000 0.89630965524459 6.941 > 5 38 Li 0.50000000000000 0.00000000000000 0.89630965524459 6.941 > 5 39 Li 0.00000000000000 0.50000000000000 0.89630965524459 6.941 > 5 40 Li 0.50000000000000 0.50000000000000 0.89630965524459 6.941 > 5 41 Li 0.00000000000000 0.25000000000000 0.82199429683200 6.941 > 9 42 Li 0.50000000000000 0.25000000000000 0.82199429683200 6.941 > 9 43 Li 0.00000000000000 0.75000000000000 0.82199429683200 6.941 > 9 44 Li 0.50000000000000 0.75000000000000 0.82199429683200 6.941 > 9 45 Li 0.00000000000000 0.00000000000000 0.57199429683200 6.941 > 13 46 Li 0.50000000000000 0.00000000000000 0.57199429683200 6.941 > 13 47 Li 0.00000000000000 0.50000000000000 0.57199429683200 6.941 > 13 48 Li 0.50000000000000 0.50000000000000 0.57199429683200 6.941 > 13 49 Li 0.25000000000000 0.25000000000000 0.92800570316800 6.941 > 17 50 Li 0.75000000000000 0.25000000000000 0.92800570316800 6.941 > 17 51 Li 0.25000000000000 0.75000000000000 0.92800570316800 6.941 > 17 52 Li 0.75000000000000 0.75000000000000 0.92800570316800 6.941 > 17 53 Li 0.25000000000000 0.25000000000000 0.60369034475541 6.941 > 21 54 Li 0.75000000000000 0.25000000000000 0.60369034475541 6.941 > 21 55 Li 0.25000000000000 0.75000000000000 0.60369034475541 6.941 > 21 56 Li 0.75000000000000 0.75000000000000 0.60369034475541 6.941 > 21 57 Li 0.25000000000000 0.00000000000000 0.85369034475541 6.941 > 25 58 Li 0.75000000000000 0.00000000000000 0.85369034475541 6.941 > 25 59 Li 0.25000000000000 0.50000000000000 0.85369034475541 6.941 > 25 60 Li 0.75000000000000 0.50000000000000 0.85369034475541 6.941 > 25 61 Li 0.00000000000000 0.25000000000000 0.67800570316800 6.941 > 29 62 Li 0.50000000000000 0.25000000000000 0.67800570316800 6.941 > 29 63 Li 0.00000000000000 0.75000000000000 0.67800570316800 6.941 > 29 64 Li 0.50000000000000 0.75000000000000 0.67800570316800 6.941 > 29 65 N 0.00000000000000 0.00000000000000 0.18199022427833 14.007 > 65 66 N 0.50000000000000 0.00000000000000 0.18199022427833 14.007 > 65 67 N 0.00000000000000 0.50000000000000 0.18199022427833 14.007 > 65 68 N 0.50000000000000 0.50000000000000 0.18199022427833 14.007 > 65 69 N 0.00000000000000 0.25000000000000 0.43199022427833 14.007 > 69 70 N 0.50000000000000 0.25000000000000 0.43199022427833 14.007 > 69 71 N 0.00000000000000 0.75000000000000 0.43199022427833 14.007 > 69 72 N 0.50000000000000 0.75000000000000 0.43199022427833 14.007 > 69 73 N 0.00000000000000 0.25000000000000 0.06800977572167 14.007 > 73 74 N 0.50000000000000 0.25000000000000 0.06800977572167 14.007 > 73 75 N 0.00000000000000 0.75000000000000 0.06800977572167 14.007 > 73 76 N 0.50000000000000 0.75000000000000 0.06800977572167 14.007 > 73 77 N 0.25000000000000 0.25000000000000 0.31800977572167 14.007 > 77 78 N 0.75000000000000 0.25000000000000 0.31800977572167 14.007 > 77 79 N 0.25000000000000 0.75000000000000 0.31800977572167 14.007 > 77 80 N 0.75000000000000 0.75000000000000 0.31800977572167 14.007 > 77 81 N 0.25000000000000 0.25000000000000 0.68199022427833 14.007 > 65 82 N 0.75000000000000 0.25000000000000 0.68199022427833 14.007 > 65 83 N 0.25000000000000 0.75000000000000 0.68199022427833 14.007 > 65 84 N 0.75000000000000 0.75000000000000 0.68199022427833 14.007 > 65 85 N 0.25000000000000 0.00000000000000 0.93199022427833 14.007 > 69 86 N 0.75000000000000 0.00000000000000 0.93199022427833 14.007 > 69 87 N 0.25000000000000 0.50000000000000 0.93199022427833 14.007 > 69 88 N 0.75000000000000 0.50000000000000 0.93199022427833 14.007 > 69 89 N 0.25000000000000 0.00000000000000 0.56800977572167 14.007 > 73 90 N 0.75000000000000 0.00000000000000 0.56800977572167 14.007 > 73 91 N 0.25000000000000 0.50000000000000 0.56800977572167 14.007 > 73 92 N 0.75000000000000 0.50000000000000 0.56800977572167 14.007 > 73 93 N 0.00000000000000 0.00000000000000 0.81800977572167 14.007 > 77 94 N 0.50000000000000 0.00000000000000 0.81800977572167 14.007 > 77 95 N 0.00000000000000 0.50000000000000 0.81800977572167 14.007 > 77 96 N 0.50000000000000 0.50000000000000 0.81800977572167 14.007 > 77 97 Sr 0.00000000000000 0.25000000000000 0.25000000000000 87.620 > 97 98 Sr 0.50000000000000 0.25000000000000 0.25000000000000 87.620 > 97 99 Sr 0.00000000000000 0.75000000000000 0.25000000000000 87.620 > 97 100 Sr 0.50000000000000 0.75000000000000 0.25000000000000 87.620 > 97 101 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 101 102 Sr 0.50000000000000 0.00000000000000 0.00000000000000 87.620 > 101 103 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 101 104 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 101 105 Sr 0.25000000000000 0.00000000000000 0.75000000000000 87.620 > 97 106 Sr 0.75000000000000 0.00000000000000 0.75000000000000 87.620 > 97 107 Sr 0.25000000000000 0.50000000000000 0.75000000000000 87.620 > 97 108 Sr 0.75000000000000 0.50000000000000 0.75000000000000 87.620 > 97 109 Sr 0.25000000000000 0.25000000000000 0.50000000000000 87.620 > 101 110 Sr 0.75000000000000 0.25000000000000 0.50000000000000 87.620 > 101 111 Sr 0.25000000000000 0.75000000000000 0.50000000000000 87.620 > 101 112 Sr 0.75000000000000 0.75000000000000 0.50000000000000 87.620 > 101----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 6.2400050 0.0000000 0.0000000 0.0000000 6.2400050 0.0000000 0.0000000 0.0000000 6.9991477-------------------------- Born effective charges -------------------------- 1 Li 0.4498742 0.0000000 0.0000000 0.0000000 0.8965094 0.0000000 0.0000000 0.0000000 1.0140220 2 Li 0.8965094 0.0000000 0.0000000 0.0000000 0.4498742 0.0000000 0.0000000 0.0000000 1.0140220 3 Li 0.8054482 0.0000000 0.0000000 0.0000000 1.0072875 0.0000000 0.0000000 0.0000000 0.9183448 4 Li 1.0072875 0.0000000 0.0000000 0.0000000 0.8054482 0.0000000 0.0000000 0.0000000 0.9183448 5 Li 0.8054482 0.0000000 0.0000000 0.0000000 1.0072875 0.0000000 0.0000000 0.0000000 0.9183448 6 Li 0.4498742 0.0000000 0.0000000 0.0000000 0.8965094 0.0000000 0.0000000 0.0000000 1.0140220 7 Li 0.8965094 0.0000000 0.0000000 0.0000000 0.4498742 0.0000000 0.0000000 0.0000000 1.0140220 8 Li 1.0072875 0.0000000 0.0000000 0.0000000 0.8054482 0.0000000 0.0000000 0.0000000 0.9183448 9 N -2.1318663 0.0000000 0.0000000 0.0000000 -2.7483083 0.0000000 0.0000000 0.0000000 -2.9737881 10 N -2.7483083 0.0000000 0.0000000 0.0000000 -2.1318663 0.0000000 0.0000000 0.0000000 -2.9737881 11 N -2.1318663 0.0000000 0.0000000 0.0000000 -2.7483083 0.0000000 0.0000000 0.0000000 -2.9737881 12 N -2.7483083 0.0000000 0.0000000 0.0000000 -2.1318663 0.0000000 0.0000000 0.0000000 -2.9737881 13 Sr 1.7210553 0.0000000 0.0000000 0.0000000 1.7210553 0.0000000 0.0000000 0.0000000 2.0828424 14 Sr 1.7210553 0.0000000 0.0000000 0.0000000 1.7210553 0.0000000 0.0000000 0.0000000 2.0828424----------------------------------------------------------------------------fc3 was read from "fc3.hdf5".fc2 was read from "fc2.hdf5".----------------------------- Force constants ------------------------------Max drift of fc3: -0.00000008 (xzx) -0.00000008 (xzx) -0.00000008 (xxz)Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating grid system ... Generalized regular grid: [ 1 13 52 ]Grid generation matrix: [ 0 13 13 ] [ 13 0 13 ] [ 2 2 0 ]fc3-r2q-transformation over three atoms: True--------------------------- Phonon calculations ----------------------------Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 307, Lambda: 0.19Running harmonic phonon calculations...-------------------- Lattice thermal conductivity (RTA) --------------------======================= Grid point 0 (1/84) =======================q-point: ( 0.00 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 84Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 2.166 ( 0.000 -0.000 0.000) 0.000 2.166 ( 0.000 -0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 2.887 ( 0.000 0.000 0.000) 0.000 4.191 ( -0.000 0.000 0.000) 0.000 5.005 ( 0.000 0.000 -0.000) 0.000 5.005 ( 0.000 0.000 -0.000) 0.000 5.159 ( 0.000 -0.000 -0.000) 0.000 5.159 ( 0.000 -0.000 0.000) 0.000 6.469 ( 0.000 0.000 0.000) 0.000 7.700 ( -0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 -0.000) 0.000 7.809 ( 0.000 -0.000 0.000) 0.000 8.514 ( 0.000 0.000 0.000) 0.000 8.761 ( -0.000 0.000 0.000) 0.000 8.761 ( 0.000 -0.000 0.000) 0.000 8.958 ( 0.000 -0.000 -0.000) 0.000 9.390 ( 0.000 0.000 0.000) 0.000 10.034 ( -0.000 0.000 0.000) 0.000 10.034 ( 0.000 -0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.730 ( -0.000 0.000 -0.000) 0.000 11.113 ( 0.000 0.000 0.000) 0.000 11.113 ( 0.000 0.000 -0.000) 0.000 11.326 ( -0.000 0.000 0.000) 0.000 13.143 ( 0.000 -0.000 0.000) 0.000 13.273 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 0.000 0.000) 0.000 13.302 ( 0.000 0.000 -0.000) 0.000 14.575 ( 0.000 0.000 0.000) 0.000 15.323 ( 0.000 0.000 -0.000) 0.000 15.404 ( -0.000 -0.000 0.000) 0.000 16.938 ( 0.000 0.000 -0.000) 0.000 17.712 ( 0.000 0.000 0.000) 0.000 17.712 ( 0.000 0.000 0.000) 0.000 22.032 ( -0.000 -0.000 -0.000) 0.000 22.032 ( -0.000 -0.000 0.000) 0.000 22.137 ( 0.000 0.000 0.000) 0.000 22.137 ( 0.000 0.000 0.000) 0.000======================= Grid point 1 (2/84) =======================q-point: ( 0.00 0.00 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.971 ( 23.402 23.402 0.000) 33.095 1.186 ( 25.916 25.916 0.000) 36.650 1.659 ( 32.485 32.485 0.000) 45.941 2.307 ( 5.810 5.810 0.000) 8.216 2.352 ( 8.170 8.170 0.000) 11.554 3.468 ( 17.683 17.683 0.000) 25.008 3.620 ( 31.702 31.702 0.000) 44.833 4.384 ( 15.996 15.996 0.000) 22.621 5.379 ( 10.274 10.274 0.000) 14.529 5.446 ( 8.763 8.763 0.000) 12.393 5.592 ( 26.124 26.124 0.000) 36.945 5.650 ( 28.650 28.650 0.000) 40.518 6.538 ( 3.128 3.128 0.000) 4.424 7.609 ( -3.216 -3.216 0.000) 4.548 7.885 ( 2.859 2.859 0.000) 4.043 8.003 ( 8.945 8.945 0.000) 12.650 8.583 ( 3.493 3.493 0.000) 4.940 8.849 ( 5.463 5.463 0.000) 7.725 8.882 ( -3.284 -3.284 0.000) 4.644 8.937 ( 8.352 8.352 0.000) 11.811 9.385 ( -0.020 -0.020 0.000) 0.029 10.015 ( -1.010 -1.010 0.000) 1.428 10.472 ( -5.171 -5.171 0.000) 7.314 10.650 ( -3.857 -3.857 0.000) 5.454 10.745 ( 1.066 1.066 0.000) 1.508 10.953 ( -7.663 -7.663 0.000) 10.837 11.377 ( 2.544 2.544 0.000) 3.597 12.277 ( -1.247 -1.247 0.000) 1.764 12.863 ( -9.953 -9.953 0.000) 14.075 13.020 ( -6.558 -6.558 0.000) 9.275 13.648 ( 7.941 7.941 0.000) 11.230 14.025 ( 1.070 1.070 0.000) 1.513 14.451 ( -5.927 -5.927 0.000) 8.382 15.412 ( 3.856 3.856 0.000) 5.453 15.499 ( 4.173 4.173 0.000) 5.901 16.344 ( -24.031 -24.031 0.000) 33.985 17.712 ( -0.111 -0.111 0.000) 0.156 17.792 ( 1.322 1.322 0.000) 1.870 21.987 ( -2.278 -2.278 0.000) 3.222 22.059 ( 0.440 0.440 0.000) 0.623 22.144 ( -0.243 -0.243 0.000) 0.344 22.811 ( -4.675 -4.675 0.000) 6.611======================= Grid point 2 (3/84) =======================q-point: ( 0.00 0.00 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.880 ( 21.006 21.006 0.000) 29.707 2.130 ( 20.873 20.873 0.000) 29.519 2.586 ( 14.824 14.824 0.000) 20.964 2.604 ( 9.049 9.049 0.000) 12.798 2.752 ( 10.785 10.785 0.000) 15.253 3.779 ( 2.553 2.553 0.000) 3.611 5.031 ( 31.617 31.617 0.000) 44.713 5.505 ( 25.537 25.537 0.000) 36.114 6.039 ( 25.013 25.013 0.000) 35.373 6.138 ( 25.450 25.450 0.000) 35.992 6.644 ( 14.024 14.024 0.000) 19.833 6.717 ( 8.992 8.992 0.000) 12.717 6.814 ( 17.425 17.425 0.000) 24.643 7.521 ( 0.408 0.408 0.000) 0.577 8.183 ( 17.559 17.559 0.000) 24.832 8.573 ( 22.372 22.372 0.000) 31.639 8.778 ( 0.217 0.217 0.000) 0.307 8.830 ( 9.435 9.435 0.000) 13.343 9.326 ( 5.149 5.149 0.000) 7.282 9.343 ( 19.652 19.652 0.000) 27.793 9.487 ( 10.755 10.755 0.000) 15.210 9.942 ( -2.656 -2.656 0.000) 3.756 10.190 ( -7.758 -7.758 0.000) 10.972 10.428 ( -6.782 -6.782 0.000) 9.591 10.543 ( -11.359 -11.359 0.000) 16.063 10.868 ( 5.811 5.811 0.000) 8.218 11.536 ( 5.244 5.244 0.000) 7.416 12.214 ( -1.985 -1.985 0.000) 2.807 12.518 ( -6.894 -6.894 0.000) 9.749 12.616 ( -12.158 -12.158 0.000) 17.193 13.984 ( 9.075 9.075 0.000) 12.834 14.117 ( -10.131 -10.131 0.000) 14.327 14.184 ( 6.667 6.667 0.000) 9.428 15.284 ( -25.904 -25.904 0.000) 36.633 15.595 ( 4.830 4.830 0.000) 6.831 15.699 ( 5.254 5.254 0.000) 7.431 17.685 ( -1.452 -1.452 0.000) 2.054 17.768 ( -2.294 -2.294 0.000) 3.244 21.842 ( -4.907 -4.907 0.000) 6.940 22.002 ( -3.646 -3.646 0.000) 5.156 22.062 ( -4.253 -4.253 0.000) 6.014 22.531 ( -9.034 -9.034 0.000) 12.776======================= Grid point 3 (4/84) =======================q-point: ( 0.00 0.00 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.664 ( 17.400 17.400 0.000) 24.607 2.888 ( 16.305 16.305 0.000) 23.059 3.041 ( 11.876 11.876 0.000) 16.795 3.046 ( 9.740 9.740 0.000) 13.775 3.183 ( 9.948 9.948 0.000) 14.069 3.871 ( 2.315 2.315 0.000) 3.274 5.948 ( 12.239 12.239 0.000) 17.309 6.149 ( 8.467 8.467 0.000) 11.974 6.841 ( -1.117 -1.117 0.000) 1.579 6.888 ( -6.149 -6.149 0.000) 8.696 6.923 ( 1.948 1.948 0.000) 2.755 7.049 ( 18.054 18.054 0.000) 25.532 7.270 ( 27.256 27.256 0.000) 38.546 7.544 ( -0.271 -0.271 0.000) 0.383 9.104 ( 14.220 14.220 0.000) 20.110 9.114 ( 13.101 13.101 0.000) 18.528 9.304 ( 7.731 7.731 0.000) 10.934 9.484 ( 7.968 7.968 0.000) 11.269 9.725 ( 22.048 22.048 0.000) 31.181 9.854 ( 1.290 1.290 0.000) 1.824 10.078 ( 9.473 9.473 0.000) 13.397 10.135 ( -6.948 -6.948 0.000) 9.826 10.139 ( 1.475 1.475 0.000) 2.086 10.381 ( 34.704 34.704 0.000) 49.078 10.512 ( 35.074 35.074 0.000) 49.602 11.259 ( 13.165 13.165 0.000) 18.619 11.795 ( 7.486 7.486 0.000) 10.587 11.909 ( -14.207 -14.207 0.000) 20.091 12.301 ( -3.805 -3.805 0.000) 5.381 12.325 ( 0.112 0.112 0.000) 0.158 13.660 ( -11.858 -11.858 0.000) 16.770 14.334 ( -20.265 -20.265 0.000) 28.659 14.397 ( 11.028 11.028 0.000) 15.596 14.529 ( 9.721 9.721 0.000) 13.748 15.798 ( 5.211 5.211 0.000) 7.370 15.911 ( 5.183 5.183 0.000) 7.330 17.578 ( -3.938 -3.938 0.000) 5.570 17.618 ( -4.987 -4.987 0.000) 7.053 21.585 ( -7.713 -7.713 0.000) 10.907 21.758 ( -8.188 -8.188 0.000) 11.580 21.788 ( -9.116 -9.116 0.000) 12.892 22.085 ( -12.702 -12.702 0.000) 17.963======================= Grid point 4 (5/84) =======================q-point: ( 0.00 0.00 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.286 ( 13.088 13.088 0.000) 18.510 3.446 ( 10.996 10.996 0.000) 15.550 3.463 ( 10.859 10.859 0.000) 15.357 3.499 ( 9.700 9.700 0.000) 13.718 3.536 ( 7.340 7.340 0.000) 10.380 3.961 ( 1.925 1.925 0.000) 2.723 6.027 ( -6.117 -6.117 0.000) 8.651 6.189 ( -5.129 -5.129 0.000) 7.253 6.545 ( -10.058 -10.058 0.000) 14.224 6.548 ( -9.032 -9.032 0.000) 12.774 7.180 ( 8.703 8.703 0.000) 12.308 7.587 ( 3.328 3.328 0.000) 4.706 7.664 ( 14.727 14.727 0.000) 20.827 8.333 ( 25.072 25.072 0.000) 35.457 9.226 ( -1.511 -1.511 0.000) 2.137 9.272 ( -4.229 -4.229 0.000) 5.981 9.274 ( -2.776 -2.776 0.000) 3.926 9.654 ( -8.347 -8.347 0.000) 11.804 9.769 ( -6.537 -6.537 0.000) 9.245 9.870 ( 7.886 7.886 0.000) 11.153 10.713 ( 28.834 28.834 0.000) 40.777 10.791 ( 5.332 5.332 0.000) 7.541 10.853 ( 17.274 17.274 0.000) 24.429 11.483 ( 5.639 5.639 0.000) 7.974 11.829 ( 15.646 15.646 0.000) 22.127 11.901 ( 16.595 16.595 0.000) 23.468 12.072 ( 40.018 40.018 0.000) 56.594 12.217 ( -0.076 -0.076 0.000) 0.108 12.413 ( 34.864 34.864 0.000) 49.305 12.458 ( 6.115 6.115 0.000) 8.649 13.215 ( -8.088 -8.088 0.000) 11.439 13.673 ( -11.684 -11.684 0.000) 16.524 14.853 ( 10.988 10.988 0.000) 15.540 14.937 ( 9.998 9.998 0.000) 14.140 16.025 ( 5.977 5.977 0.000) 8.453 16.123 ( 5.255 5.255 0.000) 7.431 17.361 ( -6.745 -6.745 0.000) 9.539 17.367 ( -7.306 -7.306 0.000) 10.332 21.224 ( -9.842 -9.842 0.000) 13.918 21.344 ( -12.257 -12.257 0.000) 17.334 21.356 ( -11.229 -11.229 0.000) 15.880 21.516 ( -14.931 -14.931 0.000) 21.116======================= Grid point 5 (6/84) =======================q-point: ( 0.00 0.00 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.711 ( 7.525 7.525 0.000) 10.642 3.785 ( 5.877 5.877 0.000) 8.312 3.785 ( 4.482 4.482 0.000) 6.338 3.793 ( 5.570 5.570 0.000) 7.878 3.872 ( 7.884 7.884 0.000) 11.150 4.018 ( 0.775 0.775 0.000) 1.096 5.697 ( -7.103 -7.103 0.000) 10.046 5.919 ( -6.432 -6.432 0.000) 9.096 6.121 ( -9.963 -9.963 0.000) 14.090 6.201 ( -7.927 -7.927 0.000) 11.211 7.633 ( 13.541 13.541 0.000) 19.150 7.827 ( 8.002 8.002 0.000) 11.317 8.197 ( 9.530 9.530 0.000) 13.478 9.070 ( -4.342 -4.342 0.000) 6.141 9.130 ( -2.582 -2.582 0.000) 3.652 9.239 ( 3.006 3.006 0.000) 4.251 9.282 ( 19.149 19.149 0.000) 27.081 9.360 ( -5.308 -5.308 0.000) 7.507 9.489 ( -7.037 -7.037 0.000) 9.952 10.073 ( 1.542 1.542 0.000) 2.180 10.318 ( -16.128 -16.128 0.000) 22.809 11.143 ( -3.029 -3.029 0.000) 4.283 11.701 ( 15.329 15.329 0.000) 21.679 12.195 ( 15.867 15.867 0.000) 22.440 12.218 ( 2.065 2.065 0.000) 2.920 12.366 ( 9.202 9.202 0.000) 13.014 12.394 ( 11.805 11.805 0.000) 16.694 12.834 ( 2.285 2.285 0.000) 3.232 12.835 ( 11.881 11.881 0.000) 16.803 13.329 ( -2.441 -2.441 0.000) 3.452 13.859 ( 34.514 34.514 0.000) 48.810 14.042 ( 35.595 35.595 0.000) 50.339 15.258 ( 8.482 8.482 0.000) 11.995 15.328 ( 9.120 9.120 0.000) 12.897 16.265 ( 5.316 5.316 0.000) 7.518 16.327 ( 4.376 4.376 0.000) 6.188 17.031 ( -9.052 -9.052 0.000) 12.802 17.040 ( -8.762 -8.762 0.000) 12.392 20.815 ( -9.690 -9.690 0.000) 13.704 20.842 ( -11.577 -11.577 0.000) 16.372 20.883 ( -11.372 -11.372 0.000) 16.082 20.917 ( -13.702 -13.702 0.000) 19.377======================= Grid point 6 (7/84) =======================q-point: ( 0.00 0.00 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.918 ( 2.780 2.780 0.000) 3.931 3.919 ( 3.389 3.389 0.000) 4.793 3.948 ( 2.290 2.290 0.000) 3.238 3.964 ( 2.070 2.070 0.000) 2.928 4.012 ( -0.789 -0.789 0.000) 1.117 4.014 ( -1.067 -1.067 0.000) 1.509 5.623 ( 3.705 3.705 0.000) 5.240 5.742 ( -1.789 -1.789 0.000) 2.530 5.803 ( -4.960 -4.960 0.000) 7.014 5.885 ( -7.702 -7.702 0.000) 10.892 8.168 ( 7.608 7.608 0.000) 10.759 8.244 ( 15.540 15.540 0.000) 21.976 8.357 ( -1.033 -1.033 0.000) 1.462 8.784 ( -9.914 -9.914 0.000) 14.021 9.069 ( 0.335 0.335 0.000) 0.474 9.198 ( -5.711 -5.711 0.000) 8.076 9.277 ( 1.851 1.851 0.000) 2.618 9.541 ( -9.745 -9.745 0.000) 13.781 9.571 ( 10.688 10.688 0.000) 15.116 9.962 ( -6.957 -6.957 0.000) 9.839 10.187 ( 14.210 14.210 0.000) 20.096 10.778 ( -13.012 -13.012 0.000) 18.402 12.000 ( 3.334 3.334 0.000) 4.715 12.127 ( -3.491 -3.491 0.000) 4.937 12.631 ( 6.625 6.625 0.000) 9.370 12.728 ( 2.835 2.835 0.000) 4.009 12.823 ( 8.908 8.908 0.000) 12.598 12.968 ( 1.438 1.438 0.000) 2.034 13.231 ( 5.526 5.526 0.000) 7.815 13.297 ( 0.494 0.494 0.000) 0.699 15.036 ( 21.014 21.014 0.000) 29.719 15.239 ( 20.868 20.868 0.000) 29.512 15.463 ( -0.447 -0.447 0.000) 0.632 15.608 ( 2.123 2.123 0.000) 3.002 16.424 ( 3.154 3.154 0.000) 4.461 16.466 ( 3.165 3.165 0.000) 4.476 16.659 ( -8.499 -8.499 0.000) 12.020 16.686 ( -7.854 -7.854 0.000) 11.107 20.490 ( -4.687 -4.687 0.000) 6.629 20.497 ( -5.642 -5.642 0.000) 7.979 20.500 ( -4.842 -4.842 0.000) 6.848 20.509 ( -5.813 -5.813 0.000) 8.220======================= Grid point 13 (8/84) =======================q-point: (-0.48 -0.02 0.02)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.809 ( -0.000 -1.616 1.306) 2.078 2.498 ( 0.000 -0.493 -1.402) 1.486 3.213 ( 0.000 -4.699 -0.518) 4.727 3.437 ( -0.000 -2.704 2.963) 4.011 3.611 ( 0.000 -1.766 -3.080) 3.551 3.937 ( -0.000 -2.098 1.270) 2.452 5.052 ( -0.000 -28.120 -0.230) 28.121 5.499 ( -0.000 5.205 4.020) 6.577 5.691 ( 0.000 18.535 -3.722) 18.905 6.697 ( -0.000 1.214 0.535) 1.326 7.268 ( 0.000 -7.705 -5.106) 9.243 7.489 ( -0.000 4.928 6.788) 8.388 7.714 ( 0.000 -1.634 -2.198) 2.739 7.829 ( 0.000 3.912 0.226) 3.919 8.663 ( -0.000 -4.097 0.093) 4.098 8.768 ( -0.000 -6.610 0.587) 6.636 8.790 ( 0.000 -3.052 -0.253) 3.062 9.090 ( -0.000 1.263 0.331) 1.306 9.197 ( 0.000 2.839 0.021) 2.839 9.727 ( 0.000 3.191 -0.313) 3.207 9.837 ( -0.000 -37.340 0.435) 37.343 10.367 ( -0.000 -22.263 -0.534) 22.269 10.538 ( -0.000 -7.872 6.396) 10.143 10.620 ( 0.000 36.864 -0.653) 36.870 10.713 ( 0.000 7.728 -9.849) 12.519 10.812 ( -0.000 2.293 0.456) 2.338 10.944 ( 0.000 24.461 1.734) 24.523 11.465 ( 0.000 0.027 -0.625) 0.625 12.220 ( -0.000 -6.454 2.108) 6.789 13.505 ( 0.000 -0.253 -1.699) 1.718 13.753 ( -0.000 0.955 0.930) 1.334 14.296 ( 0.000 1.406 0.027) 1.407 15.021 ( 0.000 0.791 -0.044) 0.792 15.246 ( -0.000 -22.837 -0.045) 22.837 17.168 ( -0.000 -18.368 -0.486) 18.375 17.200 ( -0.000 -14.949 0.538) 14.959 17.432 ( 0.000 10.589 -0.001) 10.589 17.506 ( 0.000 0.605 -0.026) 0.605 20.479 ( 0.000 12.070 -0.030) 12.070 20.654 ( 0.000 16.714 -0.010) 16.714 22.020 ( -0.000 -0.456 -0.030) 0.457 22.033 ( 0.000 0.788 0.027) 0.789======================= Grid point 14 (9/84) =======================q-point: (-0.48 -0.02 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.049 ( 26.266 -4.710 1.667) 26.737 2.588 ( 10.547 -2.552 -2.287) 11.090 3.076 ( 5.118 -12.963 -2.575) 14.173 3.365 ( 3.861 -8.510 5.497) 10.842 3.540 ( 0.726 -6.389 -5.446) 8.427 3.863 ( -0.011 -4.352 4.676) 6.388 5.078 ( 50.963 -24.929 -1.124) 56.745 5.668 ( 19.243 -6.074 2.662) 20.354 6.633 ( -0.951 5.784 0.206) 5.865 6.686 ( 43.520 18.367 -2.539) 47.305 7.125 ( 1.911 -7.058 -5.354) 9.063 7.399 ( -11.533 -4.741 0.567) 12.482 7.605 ( -7.503 -1.462 5.937) 9.679 7.895 ( 1.536 4.423 -1.045) 4.797 8.158 ( -27.736 -16.162 -0.568) 32.106 8.406 ( -2.201 -17.738 2.210) 18.010 8.785 ( 18.139 -5.811 -0.223) 19.048 9.069 ( -2.244 6.374 -0.216) 6.761 9.378 ( 5.959 6.215 0.419) 8.620 9.650 ( 33.464 -23.935 0.855) 41.151 9.919 ( -9.710 -6.412 -0.630) 11.653 10.198 ( 22.769 2.698 -0.599) 22.936 10.375 ( -0.677 -5.620 5.890) 8.169 10.631 ( -10.309 2.440 -7.841) 13.180 11.013 ( 2.549 9.369 -2.373) 9.995 11.263 ( 6.203 -7.495 0.168) 9.730 11.450 ( -0.075 7.315 -2.560) 7.751 11.630 ( 18.818 23.196 -2.639) 29.985 12.089 ( 1.261 0.354 8.599) 8.699 13.466 ( -1.404 -4.029 -3.048) 5.243 13.756 ( -3.468 2.960 -0.524) 4.589 14.129 ( -5.036 -28.106 1.149) 28.576 14.531 ( -8.867 -17.264 -0.124) 19.409 15.119 ( 6.938 1.762 -0.104) 7.159 16.456 ( -5.430 -39.812 0.024) 40.180 16.861 ( -4.477 -15.345 0.085) 15.986 17.508 ( -2.089 2.499 -0.070) 3.258 17.589 ( -3.290 8.200 -0.013) 8.835 20.880 ( -0.028 23.785 -0.102) 23.785 21.159 ( -2.480 30.456 0.064) 30.556 21.979 ( -3.598 0.056 -0.037) 3.599 22.030 ( -2.453 1.842 0.047) 3.068======================= Grid point 15 (10/84) =======================q-point: (-0.48 -0.02 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.528 ( 29.252 -6.572 -0.237) 29.982 2.740 ( 13.763 -9.635 -3.391) 17.140 2.968 ( 12.834 -12.776 -3.803) 18.504 3.241 ( 6.196 -13.816 5.175) 16.002 3.378 ( 1.543 -11.596 -6.125) 13.205 3.778 ( 1.452 -5.087 9.657) 11.011 5.724 ( 42.990 -16.245 -2.732) 46.038 5.962 ( 19.541 -6.479 3.040) 20.811 6.682 ( 11.038 0.613 0.924) 11.093 7.001 ( -10.777 -2.570 -2.305) 11.317 7.064 ( -0.473 -3.618 -6.811) 7.727 7.241 ( -19.533 -6.157 -3.054) 20.706 7.538 ( -4.765 -3.577 6.402) 8.746 7.698 ( 10.459 -35.527 3.686) 37.217 8.427 ( 51.300 6.038 -1.112) 51.667 8.437 ( 48.156 7.779 -1.042) 48.791 9.103 ( 18.511 -0.521 0.091) 18.519 9.275 ( 11.747 2.987 -1.329) 12.193 9.567 ( 0.775 3.090 4.470) 5.489 9.764 ( 7.508 -8.425 1.342) 11.364 9.811 ( 7.694 -5.557 1.438) 9.599 10.101 ( -12.124 -3.423 2.368) 12.819 10.360 ( 1.240 -16.609 -6.596) 17.914 10.669 ( 8.584 -17.020 -4.234) 19.527 10.875 ( 14.405 -10.127 -6.382) 18.730 11.411 ( 2.580 7.169 10.308) 12.818 11.690 ( 10.822 5.703 -4.222) 12.941 11.941 ( -3.298 6.038 -0.516) 6.899 12.431 ( 0.454 -18.090 8.133) 19.839 12.702 ( -2.808 -41.198 -3.404) 41.434 13.689 ( 2.900 7.085 -2.560) 8.072 13.809 ( -0.664 9.276 -4.173) 10.193 14.335 ( -18.283 13.405 2.912) 22.857 15.310 ( 7.970 -15.969 -0.138) 17.848 15.547 ( -4.356 -19.590 0.027) 20.068 16.389 ( -7.803 -18.154 0.127) 19.760 17.537 ( -2.131 4.563 -0.146) 5.038 17.637 ( -5.496 5.471 0.021) 7.755 21.333 ( -1.537 20.672 -0.032) 20.729 21.637 ( -6.489 22.187 0.059) 23.117 21.886 ( -7.569 2.798 -0.837) 8.113 22.030 ( -5.641 6.639 0.921) 8.761======================= Grid point 16 (11/84) =======================q-point: (-0.48 -0.02 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.731 ( 15.988 -15.988 -6.146) 23.431 2.895 ( 16.057 -16.057 0.120) 22.709 3.028 ( 11.651 -11.651 0.671) 16.490 3.064 ( 11.779 -11.779 -0.487) 16.664 3.231 ( 8.268 -8.268 -6.638) 13.446 3.736 ( 3.851 -3.851 13.121) 14.206 5.974 ( 11.753 -11.753 -2.746) 16.846 6.116 ( 9.118 -9.118 3.280) 13.306 6.884 ( -4.674 4.674 -2.014) 6.910 6.894 ( -5.900 5.900 -0.504) 8.359 6.960 ( 12.209 -12.209 -4.926) 17.955 7.120 ( 10.969 -10.969 -7.732) 17.332 7.207 ( 25.986 -25.986 5.976) 37.232 7.482 ( -0.074 0.074 6.507) 6.508 9.124 ( 13.121 -13.121 -2.058) 18.670 9.173 ( 9.795 -9.795 -4.292) 14.501 9.289 ( 10.522 -10.522 -0.597) 14.893 9.541 ( 8.870 -8.870 -5.105) 13.544 9.664 ( 18.562 -18.562 10.799) 28.385 9.726 ( 3.076 -3.076 6.062) 7.461 9.969 ( -0.288 0.288 2.348) 2.383 10.027 ( 9.419 -9.419 4.149) 13.952 10.421 ( 33.654 -33.654 -3.193) 47.702 10.472 ( 25.800 -25.800 -6.849) 37.124 10.558 ( 8.164 -8.164 -14.660) 18.660 11.185 ( 9.766 -9.766 8.504) 16.219 11.792 ( 5.481 -5.481 0.180) 7.754 11.864 ( -11.079 11.079 4.058) 16.185 12.295 ( 1.642 -1.642 1.753) 2.909 12.295 ( -2.583 2.583 0.525) 3.691 13.798 ( -13.974 13.974 -12.730) 23.507 14.251 ( -17.044 17.044 7.715) 25.308 14.430 ( 8.198 -8.198 -2.366) 11.832 14.514 ( 9.684 -9.684 1.550) 13.782 15.814 ( 5.229 -5.229 -1.674) 7.582 15.895 ( 5.206 -5.206 1.690) 7.553 17.585 ( -4.097 4.097 -0.658) 5.831 17.613 ( -4.839 4.839 0.521) 6.864 21.597 ( -7.734 7.734 -1.264) 11.010 21.691 ( -8.059 8.059 3.692) 11.980 21.872 ( -9.615 9.615 -5.434) 14.643 22.054 ( -12.128 12.128 3.217) 17.450======================= Grid point 20 (12/84) =======================q-point: ( 0.52 -0.02 -0.44)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.114 ( -1.628 26.250 -0.676) 26.310 2.620 ( -0.736 11.311 0.934) 11.374 3.254 ( -4.420 3.964 0.565) 5.964 3.479 ( -2.735 4.025 -2.665) 5.548 3.629 ( -2.272 1.930 2.762) 4.064 3.930 ( -1.890 -0.469 -1.380) 2.387 5.612 ( -26.637 48.411 0.092) 55.255 5.764 ( -3.320 21.075 -1.401) 21.381 6.179 ( 26.714 46.078 1.415) 53.281 6.569 ( 2.491 -11.657 -0.098) 11.921 7.284 ( -7.550 1.772 4.716) 9.076 7.462 ( -0.307 -10.095 -2.504) 10.405 7.567 ( 3.912 -6.123 -4.567) 8.582 7.790 ( 2.568 -1.529 2.468) 3.876 8.458 ( -11.617 -19.383 1.236) 22.632 8.593 ( -0.351 -10.159 -2.918) 10.576 8.873 ( -2.730 10.850 0.569) 11.203 8.950 ( 4.708 -3.403 0.247) 5.815 9.285 ( 2.479 7.439 -0.067) 7.842 10.135 ( -12.645 20.607 0.260) 24.179 10.170 ( -7.984 25.124 -1.614) 26.412 10.220 ( -16.814 -2.954 1.570) 17.143 10.539 ( -4.414 -3.482 -5.206) 7.662 10.577 ( -5.119 1.201 6.894) 8.671 10.841 ( 6.125 2.699 -3.877) 7.735 11.013 ( 17.973 9.615 2.070) 20.488 11.045 ( 26.807 22.568 3.008) 35.171 11.467 ( 0.846 1.311 -0.478) 1.632 12.226 ( -6.766 0.762 -1.962) 7.086 13.484 ( -0.235 -1.918 1.821) 2.655 13.722 ( 0.773 -2.840 -0.923) 3.085 14.212 ( 1.530 -8.060 -0.111) 8.205 15.089 ( 0.890 6.518 0.043) 6.579 15.205 ( -23.548 -3.890 0.043) 23.867 17.115 ( -19.644 -5.356 0.232) 20.362 17.155 ( -13.799 -4.175 -0.271) 14.420 17.396 ( 10.763 -3.514 -0.002) 11.322 17.468 ( 1.234 -3.612 0.019) 3.817 20.489 ( 11.724 0.913 0.020) 11.759 20.641 ( 16.300 -1.256 0.019) 16.348 21.984 ( -0.509 -3.711 0.033) 3.746 22.000 ( 1.109 -3.389 -0.032) 3.566======================= Grid point 21 (13/84) =======================q-point: ( 0.52 -0.02 -0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.644 ( -4.761 29.355 0.492) 29.743 2.868 ( -3.987 16.148 0.868) 16.656 3.221 ( -10.536 8.825 2.685) 14.003 3.473 ( -8.835 6.409 -4.662) 11.869 3.576 ( -7.717 2.751 4.894) 9.543 3.872 ( -3.863 0.940 -5.228) 6.568 6.043 ( -10.578 17.072 0.837) 20.101 6.136 ( -15.306 31.352 -1.170) 34.908 6.574 ( 8.183 10.699 -0.080) 13.469 7.038 ( -1.062 -19.232 0.884) 19.281 7.181 ( -7.711 4.098 5.144) 10.135 7.252 ( 6.571 -15.367 3.326) 17.041 7.581 ( -1.123 -2.800 -7.151) 7.761 7.986 ( 6.624 6.958 -0.985) 9.657 8.376 ( -2.970 70.164 0.956) 70.233 8.546 ( -13.846 22.337 -3.095) 26.462 8.997 ( 7.249 4.136 -0.772) 8.382 9.281 ( -1.018 22.022 2.237) 22.158 9.487 ( 3.462 3.305 -1.429) 4.995 9.747 ( -7.246 -4.870 0.963) 8.783 10.116 ( -8.148 -0.798 -3.503) 8.905 10.271 ( -7.619 -4.422 -0.242) 8.813 10.504 ( -12.828 14.258 10.904) 22.062 10.858 ( -2.719 23.475 -5.478) 24.259 11.052 ( 5.380 9.223 0.503) 10.689 11.406 ( -7.486 4.759 -0.311) 8.876 11.505 ( 13.210 7.686 2.959) 15.567 11.933 ( -5.783 8.368 2.036) 10.374 12.230 ( 14.710 13.587 -7.067) 21.236 13.432 ( -1.615 -2.397 6.547) 7.157 13.697 ( 3.036 -0.276 -2.100) 3.701 13.982 ( -16.925 -9.067 -1.543) 19.263 14.290 ( -32.076 -13.853 0.251) 34.940 15.322 ( 2.749 12.656 0.104) 12.952 16.294 ( -39.835 -10.279 -0.022) 41.140 16.739 ( -16.110 -7.213 -0.068) 17.651 17.445 ( 4.472 -4.067 0.058) 6.046 17.495 ( 8.414 -5.807 0.022) 10.224 20.878 ( 22.464 -0.167 0.016) 22.464 21.092 ( 28.483 -3.917 0.047) 28.751 21.860 ( 0.445 -8.388 0.079) 8.400 21.935 ( 3.298 -7.305 -0.099) 8.016======================= Grid point 22 (14/84) =======================q-point: ( 0.52 -0.02 -0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.018 ( -11.068 16.961 2.401) 20.394 3.086 ( -7.060 21.055 1.932) 22.291 3.237 ( -9.443 13.146 1.249) 16.234 3.368 ( -14.192 5.873 -1.874) 15.473 3.440 ( -11.434 4.657 5.172) 13.385 3.823 ( -4.342 2.825 -9.382) 10.717 6.081 ( 0.928 1.913 1.293) 2.488 6.240 ( -6.167 3.022 -1.844) 7.111 6.754 ( 5.020 -10.959 1.072) 12.102 6.845 ( 1.761 -16.920 1.138) 17.049 7.104 ( -5.490 11.068 6.047) 13.756 7.200 ( -1.060 25.908 3.868) 26.217 7.497 ( -2.446 0.206 -6.201) 6.670 7.906 ( -31.453 9.706 -5.179) 33.322 8.998 ( 5.928 24.867 -0.988) 25.583 9.205 ( 7.262 5.821 3.041) 9.792 9.479 ( -0.967 -8.050 -4.505) 9.275 9.653 ( -4.557 15.238 4.116) 16.429 9.767 ( -5.090 -10.691 -4.796) 12.776 9.935 ( -0.074 22.804 0.841) 22.819 10.030 ( -4.721 6.482 -0.193) 8.021 10.300 ( 3.452 77.975 1.239) 78.061 10.565 ( -21.782 19.434 7.091) 30.040 10.758 ( -26.035 9.443 6.177) 28.375 11.287 ( -8.876 13.929 -10.254) 19.441 11.490 ( -5.488 10.950 -4.228) 12.958 11.767 ( 0.692 1.026 3.862) 4.055 12.070 ( 6.823 12.977 0.946) 14.692 12.369 ( -40.533 -4.740 -4.548) 41.062 12.565 ( -34.602 -9.705 2.544) 36.027 13.534 ( 9.773 -11.785 8.689) 17.603 13.920 ( 13.258 -16.263 -6.262) 21.897 14.204 ( 13.236 26.860 0.877) 29.957 15.213 ( -39.922 -13.069 -0.034) 42.007 15.717 ( 5.866 16.142 0.255) 17.176 16.227 ( -18.072 -7.816 -0.222) 19.691 17.473 ( 6.132 -4.242 0.149) 7.458 17.510 ( 6.012 -6.760 -0.036) 9.047 21.300 ( 19.361 -1.750 0.051) 19.440 21.498 ( 18.293 -7.269 -0.517) 19.691 21.675 ( 5.213 -13.026 1.435) 14.104 21.833 ( 7.887 -13.807 -0.972) 15.930======================= Grid point 26 (15/84) =======================q-point: ( 0.04 -0.04 0.04)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.516 ( 0.000 24.707 -0.000) 24.707 0.694 ( 0.000 34.125 -0.000) 34.125 1.393 ( 0.000 59.837 -0.000) 59.837 2.192 ( 0.000 2.424 -0.000) 2.424 2.307 ( 0.000 12.020 -0.000) 12.020 2.952 ( 0.000 6.434 -0.000) 6.434 3.475 ( 0.000 39.379 -0.000) 39.379 4.304 ( 0.000 19.872 -0.000) 19.872 5.158 ( 0.000 14.592 -0.000) 14.592 5.174 ( 0.000 1.485 -0.000) 1.485 5.448 ( 0.000 15.002 -0.000) 15.002 5.473 ( 0.000 41.389 -0.000) 41.389 6.506 ( 0.000 3.675 -0.000) 3.675 7.660 ( -0.000 -2.424 0.000) 2.424 7.839 ( 0.000 2.928 -0.000) 2.928 7.910 ( 0.000 8.053 -0.000) 8.053 8.548 ( 0.000 3.326 -0.000) 3.326 8.710 ( -0.000 -4.853 0.000) 4.853 8.934 ( -0.000 -1.658 0.000) 1.658 8.947 ( 0.000 19.025 -0.000) 19.025 9.387 ( 0.000 0.023 -0.000) 0.023 9.992 ( -0.000 -4.104 0.000) 4.104 10.534 ( -0.000 -4.339 0.000) 4.339 10.686 ( -0.000 -4.281 0.000) 4.281 10.733 ( -0.000 -0.105 0.000) 0.105 11.095 ( -0.000 -1.760 0.000) 1.760 11.355 ( 0.000 3.264 -0.000) 3.264 12.028 ( -0.000 -21.958 0.000) 21.958 13.066 ( -0.000 -7.827 0.000) 7.827 13.219 ( -0.000 -8.149 0.000) 8.149 13.447 ( 0.000 12.924 -0.000) 12.924 14.095 ( 0.000 7.008 -0.000) 7.008 14.512 ( -0.000 -6.064 0.000) 6.064 15.333 ( -0.000 -0.545 0.000) 0.545 15.524 ( 0.000 12.358 -0.000) 12.358 16.612 ( -0.000 -28.170 0.000) 28.170 17.700 ( -0.000 -1.157 0.000) 1.157 17.782 ( 0.000 4.480 -0.000) 4.480 22.029 ( -0.000 -0.922 0.000) 0.922 22.031 ( -0.000 -0.181 0.000) 0.181 22.132 ( -0.000 -0.480 0.000) 0.480 22.856 ( -0.000 -5.225 0.000) 5.225======================= Grid point 27 (16/84) =======================q-point: ( 0.04 -0.04 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.509 ( 36.288 12.580 0.000) 38.406 1.520 ( 13.212 28.832 -0.000) 31.715 2.380 ( 10.849 3.604 0.000) 11.432 2.424 ( 3.113 34.594 -0.000) 34.734 2.619 ( 3.338 14.773 -0.000) 15.146 3.648 ( 20.706 8.160 0.000) 22.256 4.028 ( 38.982 7.194 0.000) 39.640 5.243 ( 4.227 38.337 -0.000) 38.569 5.532 ( 19.796 25.923 -0.000) 32.617 5.931 ( 3.187 31.971 -0.000) 32.129 6.015 ( 38.378 24.032 0.000) 45.281 6.494 ( 9.443 34.635 -0.000) 35.899 6.644 ( 2.166 9.748 -0.000) 9.985 7.553 ( -3.939 -2.309 -0.000) 4.566 7.965 ( 3.568 4.307 -0.000) 5.593 8.217 ( 12.370 11.415 0.000) 16.832 8.627 ( 3.457 -2.981 0.000) 4.565 8.786 ( 18.906 -3.310 0.000) 19.193 8.932 ( -5.431 14.314 -0.000) 15.310 9.336 ( 0.341 3.736 -0.000) 3.752 9.582 ( -6.173 40.547 -0.000) 41.014 9.927 ( 3.430 -7.027 0.000) 7.820 10.338 ( -6.207 -7.938 0.000) 10.077 10.537 ( -3.184 -6.927 0.000) 7.624 10.759 ( 4.302 0.687 0.000) 4.356 10.812 ( -14.618 -6.561 -0.000) 16.023 11.479 ( 0.933 7.705 -0.000) 7.761 11.922 ( 23.785 -22.344 0.000) 32.634 12.664 ( -11.103 -13.440 0.000) 17.433 12.979 ( -9.980 -3.016 -0.000) 10.425 13.696 ( 8.376 -0.057 0.000) 8.376 14.271 ( -6.269 20.563 -0.000) 21.498 14.278 ( -5.549 -10.805 0.000) 12.147 15.390 ( 7.985 -2.295 0.000) 8.308 15.747 ( -17.742 -32.105 0.000) 36.681 15.775 ( -5.723 17.954 -0.000) 18.844 17.682 ( 1.111 -2.410 0.000) 2.653 17.819 ( -2.221 0.609 -0.000) 2.303 21.919 ( -3.148 -5.355 0.000) 6.212 22.039 ( 0.026 -2.014 0.000) 2.015 22.116 ( -0.970 -2.253 0.000) 2.452 22.650 ( -3.173 -11.519 0.000) 11.949======================= Grid point 28 (17/84) =======================q-point: ( 0.04 -0.04 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.327 ( 14.782 21.714 -0.000) 26.268 2.385 ( 29.755 7.936 0.000) 30.795 2.757 ( 15.112 7.176 0.000) 16.729 2.974 ( 0.550 19.490 -0.000) 19.498 3.021 ( 6.405 14.087 -0.000) 15.475 3.829 ( 1.816 2.543 -0.000) 3.125 5.388 ( 47.902 13.688 0.000) 49.819 5.861 ( 18.645 8.670 0.000) 20.563 6.556 ( 19.364 18.428 0.000) 26.731 6.796 ( 2.790 6.523 -0.000) 7.094 6.896 ( 13.547 43.042 -0.000) 45.123 6.945 ( -1.266 7.137 -0.000) 7.248 7.042 ( -5.067 9.552 -0.000) 10.813 7.539 ( 2.514 1.574 0.000) 2.967 8.446 ( 51.307 4.916 0.000) 51.542 8.619 ( 15.236 -9.384 0.000) 17.894 8.992 ( 34.720 12.687 0.000) 36.965 9.296 ( 17.507 0.893 0.000) 17.530 9.409 ( -6.833 36.788 -0.000) 37.418 9.440 ( 14.839 8.325 0.000) 17.015 9.845 ( 2.359 -4.267 0.000) 4.876 10.032 ( -4.227 -6.424 0.000) 7.690 10.256 ( -7.258 -1.122 -0.000) 7.344 10.377 ( -13.918 -4.196 -0.000) 14.537 10.496 ( 1.141 39.840 -0.000) 39.856 11.088 ( 4.665 26.603 -0.000) 27.008 11.711 ( 1.679 13.874 -0.000) 13.975 11.959 ( 20.247 -18.985 0.000) 27.756 12.153 ( -10.406 -14.950 0.000) 18.215 12.688 ( -15.559 2.247 -0.000) 15.720 13.878 ( -9.189 -12.823 0.000) 15.776 13.898 ( 20.109 -7.618 0.000) 21.504 14.676 ( -7.447 31.867 -0.000) 32.725 14.765 ( -20.800 -23.636 0.000) 31.485 15.534 ( 12.238 -4.305 0.000) 12.973 16.014 ( -7.392 18.535 -0.000) 19.955 17.624 ( -0.841 -4.041 0.000) 4.128 17.721 ( -4.836 -2.883 -0.000) 5.630 21.676 ( -2.979 -12.486 0.000) 12.836 21.922 ( -6.307 -3.253 -0.000) 7.096 21.941 ( -6.500 -8.423 0.000) 10.639 22.283 ( -6.104 -14.411 0.000) 15.650======================= Grid point 29 (18/84) =======================q-point: ( 0.04 -0.04 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.994 ( 15.106 14.067 0.000) 20.641 3.053 ( 22.956 5.651 0.000) 23.641 3.234 ( 14.404 8.037 0.000) 16.494 3.361 ( 3.641 15.368 -0.000) 15.793 3.417 ( 5.918 11.985 -0.000) 13.367 3.919 ( 2.056 2.276 -0.000) 3.067 6.067 ( 2.162 0.058 0.000) 2.163 6.261 ( 3.174 5.510 -0.000) 6.359 6.740 ( -11.107 -5.138 -0.000) 12.238 6.827 ( -16.497 -1.867 -0.000) 16.603 7.041 ( 4.996 7.937 -0.000) 9.379 7.164 ( 30.284 -0.243 0.000) 30.285 7.557 ( -0.322 1.907 -0.000) 1.934 7.967 ( 11.741 32.003 -0.000) 34.089 9.011 ( 26.444 -5.263 0.000) 26.963 9.171 ( 6.009 -5.247 0.000) 7.978 9.526 ( -8.838 2.759 -0.000) 9.259 9.605 ( 16.864 4.200 0.000) 17.379 9.899 ( 8.519 1.589 0.000) 8.665 9.906 ( -12.599 1.234 -0.000) 12.659 9.969 ( 6.963 -4.961 0.000) 8.550 10.279 ( 68.163 -4.309 0.000) 68.299 10.499 ( 48.023 22.984 0.000) 53.240 10.703 ( 4.983 36.297 -0.000) 36.638 11.369 ( 26.637 15.432 0.000) 30.784 11.594 ( -8.101 -12.954 0.000) 15.279 11.685 ( 7.681 7.729 -0.000) 10.897 12.060 ( 12.536 -6.525 0.000) 14.133 12.446 ( -7.704 68.457 -0.000) 68.889 12.512 ( -7.946 5.045 -0.000) 9.412 13.441 ( -11.567 -7.029 -0.000) 13.536 13.984 ( -18.218 -13.616 -0.000) 22.744 14.192 ( 29.142 -13.438 0.000) 32.091 15.213 ( -13.029 39.872 -0.000) 41.947 15.714 ( 16.000 -5.719 0.000) 16.991 16.230 ( -7.704 17.909 -0.000) 19.496 17.472 ( -4.242 -6.001 0.000) 7.348 17.511 ( -6.749 -6.125 -0.000) 9.114 21.299 ( -1.866 -19.180 0.000) 19.271 21.505 ( -6.547 -20.277 0.000) 21.308 21.658 ( -13.730 -2.443 -0.000) 13.945 21.844 ( -13.758 -8.925 -0.000) 16.399======================= Grid point 30 (19/84) =======================q-point: ( 0.04 -0.04 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.509 ( 12.699 8.412 0.000) 15.232 3.566 ( 15.862 5.237 0.000) 16.704 3.602 ( 10.049 3.580 0.000) 10.668 3.724 ( 6.008 10.000 -0.000) 11.667 3.728 ( 3.694 8.259 -0.000) 9.047 3.992 ( 1.594 1.053 0.000) 1.911 5.831 ( -6.858 -10.687 0.000) 12.698 6.158 ( -14.965 1.240 -0.000) 15.016 6.359 ( -13.129 -7.801 -0.000) 15.272 6.421 ( -14.312 -4.288 -0.000) 14.941 7.394 ( 9.828 12.139 -0.000) 15.619 7.690 ( 5.124 6.616 -0.000) 8.368 7.816 ( 27.706 2.563 0.000) 27.824 8.634 ( 24.856 -5.605 0.000) 25.480 9.070 ( 4.661 -11.692 0.000) 12.587 9.228 ( -4.590 13.335 -0.000) 14.103 9.448 ( -9.423 13.048 -0.000) 16.095 9.622 ( -15.979 3.859 -0.000) 16.438 9.657 ( -10.560 -3.045 -0.000) 10.990 9.961 ( 9.789 1.464 0.000) 9.898 10.638 ( -11.860 -12.665 0.000) 17.351 11.048 ( 47.318 8.304 0.000) 48.041 11.054 ( 12.943 1.692 0.000) 13.053 11.777 ( 38.366 -15.881 0.000) 41.523 11.839 ( 12.661 12.690 -0.000) 17.926 12.197 ( 20.473 15.680 0.000) 25.788 12.277 ( 5.398 11.793 -0.000) 12.970 12.329 ( 52.416 10.599 0.000) 53.477 12.617 ( 7.858 6.885 0.000) 10.448 13.076 ( -2.370 0.392 -0.000) 2.403 13.535 ( -6.833 0.460 -0.000) 6.848 13.863 ( -3.120 63.877 -0.000) 63.953 14.512 ( 35.371 -19.810 0.000) 40.540 15.680 ( -15.789 33.345 -0.000) 36.894 15.980 ( 14.226 1.027 0.000) 14.263 16.428 ( -7.052 16.149 -0.000) 17.622 17.203 ( -7.941 -9.009 0.000) 12.009 17.208 ( -7.612 -8.089 0.000) 11.108 20.859 ( -0.862 -20.047 0.000) 20.065 20.929 ( -3.509 -23.972 0.000) 24.228 21.277 ( -19.721 -1.084 -0.000) 19.751 21.353 ( -21.170 -4.184 -0.000) 21.580======================= Grid point 31 (20/84) =======================q-point: ( 0.04 -0.04 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.811 ( 6.107 1.856 0.000) 6.383 3.841 ( 7.753 3.187 0.000) 8.382 3.860 ( 6.648 1.774 0.000) 6.881 3.899 ( 2.565 3.061 -0.000) 3.993 3.975 ( 4.300 1.757 0.000) 4.645 4.020 ( 0.548 -0.588 0.000) 0.804 5.578 ( -0.581 -2.986 0.000) 3.042 5.893 ( -12.139 2.613 -0.000) 12.417 5.949 ( -10.169 -7.150 -0.000) 12.432 6.091 ( -11.827 -2.891 -0.000) 12.175 7.891 ( 14.074 7.866 0.000) 16.123 8.028 ( 9.536 14.096 -0.000) 17.019 8.203 ( 13.773 -7.891 0.000) 15.873 8.936 ( 13.932 -5.630 0.000) 15.027 8.976 ( 6.454 -6.651 0.000) 9.268 9.228 ( -0.026 2.483 -0.000) 2.483 9.350 ( -6.514 -5.548 -0.000) 8.556 9.434 ( -13.565 7.956 -0.000) 15.726 9.749 ( -9.052 4.211 -0.000) 9.983 10.015 ( 0.666 -8.373 0.000) 8.400 10.168 ( -9.675 12.487 -0.000) 15.797 10.964 ( -3.193 -11.997 0.000) 12.415 11.881 ( 11.295 5.400 0.000) 12.520 12.132 ( 10.773 -4.591 0.000) 11.710 12.300 ( 24.489 1.061 0.000) 24.512 12.612 ( 1.876 2.241 -0.000) 2.923 12.668 ( 6.628 12.474 -0.000) 14.125 12.864 ( 11.094 4.997 0.000) 12.167 13.035 ( 13.200 6.547 0.000) 14.734 13.189 ( 10.398 -9.286 0.000) 13.941 14.341 ( 43.049 23.778 0.000) 49.179 14.837 ( 40.254 -23.420 0.000) 46.571 14.895 ( 8.427 27.032 -0.000) 28.315 15.939 ( -16.437 21.316 -0.000) 26.917 16.196 ( 10.469 -5.003 0.000) 11.603 16.585 ( -7.159 13.071 -0.000) 14.903 16.828 ( -8.336 -11.001 0.000) 13.803 16.876 ( -9.275 -5.939 -0.000) 11.013 20.498 ( -0.729 -11.346 0.000) 11.369 20.521 ( -0.820 -9.450 0.000) 9.486 20.841 ( -20.807 -0.225 -0.000) 20.808 20.848 ( -21.757 -1.022 -0.000) 21.781======================= Grid point 32 (21/84) =======================q-point: ( 0.04 0.96 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.938 ( 1.069 -4.461 0.000) 4.588 3.938 ( 4.461 -1.069 0.000) 4.588 3.961 ( 1.004 -1.350 0.000) 1.682 3.961 ( 1.350 -1.004 0.000) 1.682 3.988 ( -1.513 -2.318 0.000) 2.768 3.988 ( 2.318 1.513 0.000) 2.768 5.681 ( -3.469 -5.651 0.000) 6.631 5.681 ( 5.651 3.469 0.000) 6.631 5.847 ( -9.354 3.783 -0.000) 10.090 5.847 ( -3.783 9.354 -0.000) 10.090 8.168 ( 6.328 -13.585 0.000) 14.986 8.168 ( 13.585 -6.328 0.000) 14.986 8.618 ( -17.117 -7.717 0.000) 18.776 8.618 ( 7.717 17.117 0.000) 18.776 9.106 ( -6.027 -5.199 0.000) 7.960 9.106 ( 5.199 6.027 0.000) 7.960 9.438 ( -9.420 4.100 0.000) 10.274 9.438 ( -4.100 9.420 0.000) 10.274 9.658 ( -0.147 -22.237 0.000) 22.237 9.658 ( 22.237 0.147 0.000) 22.237 10.579 ( -15.348 -1.243 0.000) 15.399 10.579 ( 1.243 15.348 0.000) 15.399 12.068 ( -3.099 -2.071 0.000) 3.727 12.068 ( 2.071 3.099 0.000) 3.727 12.635 ( 5.500 -10.980 0.000) 12.281 12.635 ( 10.980 -5.500 0.000) 12.281 12.955 ( -2.005 -2.886 0.000) 3.514 12.955 ( 2.886 2.005 0.000) 3.514 13.245 ( 4.561 -4.574 0.000) 6.459 13.245 ( 4.574 -4.561 0.000) 6.459 15.122 ( 18.479 -20.901 0.000) 27.899 15.122 ( 20.901 -18.479 0.000) 27.899 15.552 ( -18.136 -22.058 0.000) 28.556 15.552 ( 22.058 18.136 0.000) 28.556 16.443 ( -5.657 -11.841 0.000) 13.123 16.443 ( 11.841 5.657 0.000) 13.123 16.675 ( -10.360 5.840 -0.000) 11.893 16.675 ( -5.840 10.360 -0.000) 11.893 20.491 ( -8.672 1.033 -0.000) 8.733 20.491 ( -1.033 8.672 -0.000) 8.733 20.507 ( -8.655 2.642 -0.000) 9.049 20.507 ( -2.642 8.655 -0.000) 9.049======================= Grid point 40 (22/84) =======================q-point: (-0.44 -0.06 0.06)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( -0.000 -4.965 3.196) 5.905 2.474 ( 0.000 -2.102 -3.215) 3.841 3.023 ( 0.000 -13.870 -2.600) 14.112 3.325 ( -0.000 -8.439 5.769) 10.222 3.540 ( 0.000 -5.140 -5.611) 7.609 3.865 ( -0.000 -4.552 4.344) 6.293 4.482 ( -0.000 -27.192 -1.106) 27.215 5.452 ( -0.000 -5.297 4.376) 6.871 6.122 ( 0.000 18.133 -3.429) 18.454 6.729 ( -0.000 0.853 0.226) 0.883 7.108 ( 0.000 -7.046 -5.357) 8.851 7.485 ( -0.000 -4.426 3.260) 5.497 7.735 ( -0.000 0.666 4.476) 4.525 7.913 ( 0.000 2.784 -2.442) 3.703 8.456 ( -0.000 -22.601 1.047) 22.625 8.522 ( -0.000 -8.900 0.188) 8.902 8.686 ( 0.000 -6.713 -1.152) 6.811 9.077 ( -0.000 -33.657 0.228) 33.657 9.143 ( -0.000 3.977 1.182) 4.149 9.307 ( 0.000 7.419 -0.034) 7.419 9.898 ( 0.000 10.578 -0.006) 10.578 10.043 ( -0.000 -6.969 -0.469) 6.985 10.403 ( -0.000 -5.866 6.809) 8.987 10.837 ( 0.000 2.662 -0.363) 2.686 10.887 ( 0.000 8.748 -14.417) 16.864 11.233 ( -0.000 -9.352 1.943) 9.552 11.377 ( 0.000 34.676 0.153) 34.676 11.455 ( 0.000 5.110 -3.086) 5.969 12.085 ( -0.000 -1.220 7.706) 7.802 13.483 ( 0.000 -4.693 -2.401) 5.272 13.796 ( 0.000 3.602 -0.550) 3.644 14.181 ( -0.000 -30.621 0.781) 30.631 14.624 ( -0.000 -13.248 -0.126) 13.248 15.048 ( 0.000 1.472 -0.102) 1.476 16.511 ( -0.000 -39.819 0.020) 39.819 16.909 ( -0.000 -14.929 0.100) 14.929 17.529 ( 0.000 1.674 -0.076) 1.675 17.623 ( 0.000 8.131 -0.010) 8.131 20.880 ( 0.000 24.353 -0.154) 24.354 21.186 ( 0.000 31.299 0.137) 31.299 22.014 ( 0.000 -0.130 -0.011) 0.130 22.052 ( 0.000 1.054 0.006) 1.054======================= Grid point 41 (23/84) =======================q-point: (-0.44 -0.06 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.925 ( 27.102 -7.462 1.631) 28.158 2.506 ( 9.000 -6.128 -2.742) 11.228 2.745 ( 8.222 -18.523 -6.009) 21.138 3.137 ( 3.699 -13.678 6.350) 15.527 3.371 ( -0.758 -10.400 -5.686) 11.877 3.763 ( 0.150 -5.359 8.815) 10.317 4.616 ( 53.958 -20.192 -3.102) 57.695 5.531 ( 18.680 -7.084 4.759) 20.537 6.629 ( -1.564 -6.671 0.321) 6.860 6.905 ( 53.117 -3.094 -3.194) 53.303 7.013 ( 0.976 -3.982 -8.984) 9.875 7.286 ( -8.182 -6.459 1.325) 10.508 7.528 ( -7.853 -6.875 2.818) 10.811 7.558 ( 0.193 -34.769 3.042) 34.902 7.923 ( -24.694 -3.037 0.095) 24.881 8.280 ( 1.452 7.573 0.144) 7.712 8.642 ( 22.258 -8.631 1.000) 23.894 9.117 ( 19.037 -10.115 -3.702) 21.873 9.286 ( 11.062 -1.789 3.044) 11.612 9.548 ( 4.928 8.463 0.388) 9.801 9.946 ( -8.364 6.166 -1.005) 10.440 10.217 ( 0.058 -6.065 5.309) 8.060 10.334 ( 14.751 1.346 3.529) 15.227 10.506 ( -11.776 -22.899 -0.825) 25.763 10.839 ( -3.104 -7.861 -13.894) 16.263 11.267 ( 11.701 10.895 -3.314) 16.328 11.548 ( 1.441 -1.284 2.794) 3.396 12.023 ( -2.685 14.808 -1.173) 15.095 12.308 ( 9.368 12.885 9.713) 18.659 12.727 ( -1.027 -60.522 -2.646) 60.589 13.657 ( -1.957 -3.392 3.249) 5.088 13.923 ( -5.060 13.035 -8.362) 16.292 14.646 ( -11.290 15.327 2.008) 19.142 15.127 ( 6.981 -3.382 -0.166) 7.759 15.670 ( -4.979 -32.925 0.090) 33.300 16.528 ( -5.350 -17.393 0.099) 18.197 17.565 ( -0.704 3.026 -0.133) 3.109 17.727 ( -3.177 5.252 0.010) 6.139 21.361 ( -1.101 21.919 -0.272) 21.949 21.756 ( -4.848 25.615 0.304) 26.071 21.989 ( -2.829 1.238 -0.343) 3.107 22.081 ( -0.178 3.815 0.540) 3.857======================= Grid point 42 (24/84) =======================q-point: (-0.44 -0.06 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.362 ( 25.680 -11.566 -1.093) 28.186 2.460 ( 17.549 -15.214 -8.743) 24.817 2.757 ( 14.645 -8.563 -0.454) 16.971 2.909 ( 5.799 -18.791 4.576) 20.191 3.122 ( 2.558 -12.970 -8.447) 15.688 3.675 ( 2.069 -4.795 14.678) 15.580 5.426 ( 47.429 -13.135 -3.650) 49.349 5.811 ( 19.808 -9.686 4.620) 22.528 6.508 ( 19.082 -19.913 2.645) 27.707 6.822 ( 13.128 -37.813 2.094) 40.082 6.952 ( -1.883 -7.646 -2.596) 8.291 7.006 ( 2.192 -7.494 -7.738) 10.993 7.060 ( -3.858 -10.202 -5.335) 12.142 7.488 ( 0.863 -0.746 5.801) 5.912 8.507 ( 54.923 -3.177 -5.294) 55.268 8.618 ( 16.078 8.856 0.106) 18.356 8.957 ( 32.373 -14.134 3.243) 35.473 9.322 ( 19.423 -2.652 -2.314) 19.739 9.373 ( -3.177 -27.629 1.674) 27.862 9.467 ( 6.697 -9.072 -0.460) 11.285 9.802 ( 0.317 -2.350 3.153) 3.945 10.018 ( -4.779 7.637 1.304) 9.103 10.133 ( -10.039 4.662 4.764) 12.051 10.500 ( 1.169 -39.851 -0.357) 39.870 10.623 ( -6.113 -2.950 -16.452) 17.797 11.049 ( 3.812 -23.026 4.494) 23.769 11.737 ( 1.320 -9.815 -3.058) 10.365 11.947 ( 15.899 18.372 2.872) 24.465 12.112 ( -8.774 10.412 2.772) 13.895 12.599 ( -12.772 -4.253 6.529) 14.961 13.868 ( 19.522 9.276 -0.066) 21.614 14.086 ( -9.613 15.987 -15.347) 24.156 14.662 ( -11.535 -16.928 2.608) 20.650 14.712 ( -17.085 7.278 4.247) 19.050 15.536 ( 12.424 4.444 -0.199) 13.196 16.010 ( -7.560 -18.707 0.281) 20.179 17.629 ( -0.735 4.345 -0.463) 4.431 17.718 ( -4.941 2.597 0.316) 5.591 21.679 ( -2.757 12.858 -0.246) 13.152 21.866 ( -7.507 3.682 2.461) 8.716 22.029 ( -5.598 8.403 -5.721) 11.605 22.241 ( -5.696 13.107 4.154) 14.883======================= Grid point 47 (25/84) =======================q-point: ( 0.56 -0.06 -0.40)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.713 ( -1.825 29.780 0.238) 29.837 2.920 ( -1.236 17.159 0.234) 17.205 3.368 ( -3.666 7.003 0.767) 7.941 3.594 ( -2.972 6.959 -2.140) 7.863 3.685 ( -2.789 3.342 2.195) 4.875 3.928 ( -1.507 0.402 -1.621) 2.249 6.193 ( -6.153 -4.457 -0.396) 7.608 6.402 ( 7.391 21.702 0.253) 22.927 6.537 ( -21.105 26.520 -0.799) 33.902 6.948 ( 17.102 4.763 2.707) 17.958 7.078 ( 1.282 -16.998 -0.379) 17.051 7.354 ( -7.889 6.054 4.115) 10.762 7.599 ( 0.629 4.512 -7.568) 8.833 7.799 ( 7.156 3.071 2.506) 8.181 8.506 ( -7.708 37.834 2.168) 38.672 8.638 ( 3.076 23.422 -4.429) 24.035 8.884 ( 3.542 7.529 0.415) 8.330 9.281 ( 0.392 21.800 0.779) 21.817 9.439 ( 1.236 6.409 -0.464) 6.544 10.083 ( -19.069 -5.607 2.824) 20.076 10.240 ( -3.545 -4.791 -0.908) 6.029 10.296 ( 0.592 -11.300 1.462) 11.410 10.683 ( 2.343 0.703 -5.617) 6.127 10.954 ( -0.908 17.337 3.292) 17.671 11.005 ( 0.851 24.405 1.568) 24.471 11.231 ( -5.552 23.514 -0.685) 24.170 11.479 ( 1.414 11.147 2.204) 11.451 11.701 ( 21.594 26.306 -1.743) 34.079 12.266 ( -7.495 3.619 -1.463) 8.451 13.432 ( -0.091 -3.295 2.677) 4.246 13.659 ( 0.916 -2.568 -1.662) 3.193 13.985 ( 1.690 -13.398 -0.107) 13.504 15.096 ( -25.205 -6.534 0.029) 26.038 15.278 ( 1.193 11.826 0.040) 11.886 16.951 ( -19.863 -10.617 0.001) 22.522 17.043 ( -13.718 -6.634 -0.030) 15.237 17.295 ( 11.137 -6.142 0.009) 12.718 17.366 ( 2.727 -6.226 0.007) 6.797 20.511 ( 10.919 1.125 0.002) 10.977 20.606 ( 15.236 -2.050 0.034) 15.373 21.861 ( -0.604 -8.549 0.039) 8.570 21.885 ( 1.748 -8.228 -0.036) 8.412======================= Grid point 48 (26/84) =======================q-point: ( 0.56 -0.06 -0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.176 ( -5.631 21.776 1.060) 22.517 3.218 ( -5.022 18.123 0.601) 18.816 3.417 ( -7.639 9.963 2.555) 12.812 3.606 ( -9.348 6.090 -3.066) 11.570 3.650 ( -8.291 4.600 3.929) 10.264 3.902 ( -3.202 1.945 -5.339) 6.522 5.996 ( 5.639 -8.641 0.169) 10.319 6.384 ( -7.383 -6.817 -1.910) 10.229 6.682 ( 2.314 -15.434 2.132) 15.751 6.805 ( 2.419 -21.299 1.133) 21.466 7.145 ( 0.901 32.899 1.173) 32.932 7.301 ( -9.093 9.855 6.261) 14.798 7.578 ( -5.354 2.313 -4.888) 7.610 8.189 ( 4.885 12.808 -4.200) 14.337 8.956 ( 8.979 5.988 -2.383) 11.052 9.202 ( -19.366 14.286 -0.322) 24.067 9.483 ( 0.066 -2.749 -3.305) 4.299 9.731 ( -3.498 18.569 5.113) 19.575 9.892 ( -7.333 -11.438 -1.288) 13.647 9.942 ( -2.060 36.723 0.437) 36.783 10.004 ( 3.702 21.090 1.255) 21.449 10.197 ( 5.586 46.997 6.084) 47.717 10.813 ( 7.113 3.286 -7.023) 10.522 11.033 ( -9.976 11.782 3.355) 15.798 11.568 ( -10.845 19.574 -1.815) 22.451 11.646 ( -8.423 28.213 0.425) 29.447 11.697 ( 2.076 12.533 1.553) 12.798 12.101 ( -12.631 10.120 -0.249) 16.187 12.466 ( 5.262 7.123 -2.964) 9.339 13.328 ( -0.580 -8.047 8.956) 12.054 13.686 ( 3.240 -9.946 -7.113) 12.650 13.946 ( 5.298 16.071 0.938) 16.947 14.024 ( -51.252 -10.360 0.462) 52.291 15.613 ( 4.175 15.150 0.118) 15.715 16.046 ( -39.828 -13.664 -0.010) 42.107 16.582 ( -16.522 -7.942 -0.077) 18.332 17.344 ( 6.596 -5.888 0.046) 8.842 17.360 ( 8.727 -7.260 0.028) 11.352 20.872 ( 21.098 -0.474 -0.020) 21.103 21.009 ( 26.219 -4.139 0.080) 26.544 21.629 ( 0.811 -14.375 0.100) 14.398 21.717 ( 4.127 -14.374 -0.101) 14.955======================= Grid point 49 (27/84) =======================q-point: ( 0.56 -0.06 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.317 ( -12.752 12.752 3.067) 18.293 3.443 ( -10.755 10.755 -1.157) 15.254 3.484 ( -10.029 10.029 -0.647) 14.197 3.498 ( -9.482 9.482 1.375) 13.480 3.562 ( -7.880 7.880 4.822) 12.143 3.887 ( -3.292 3.292 -7.353) 8.703 6.045 ( 6.147 -6.147 1.890) 8.896 6.157 ( 5.542 -5.542 -3.009) 8.396 6.556 ( 9.858 -9.858 1.066) 13.981 6.565 ( 9.128 -9.128 1.163) 12.961 7.247 ( -7.718 7.718 6.690) 12.802 7.536 ( -3.878 3.878 -5.285) 7.616 7.743 ( -16.125 16.125 8.187) 24.229 8.210 ( -23.300 23.300 -11.839) 35.014 9.203 ( 2.621 -2.621 -0.975) 3.833 9.253 ( 2.891 -2.891 -2.116) 4.603 9.306 ( 3.642 -3.642 2.646) 5.791 9.487 ( 6.417 -6.417 -8.820) 12.655 9.940 ( -6.879 6.879 6.015) 11.438 9.948 ( 5.286 -5.286 9.186) 11.844 10.756 ( -26.803 26.803 3.042) 38.028 10.780 ( -7.648 7.648 -0.955) 10.859 10.857 ( -14.395 14.395 2.736) 20.541 11.318 ( -8.691 8.691 -14.338) 18.885 11.858 ( -16.835 16.835 1.590) 23.861 11.893 ( -16.935 16.935 -0.687) 23.959 12.147 ( -37.214 37.214 6.673) 53.050 12.248 ( -3.174 3.174 2.850) 5.317 12.386 ( -32.734 32.734 -2.656) 46.370 12.424 ( -5.173 5.173 -3.235) 7.999 13.299 ( 8.901 -8.901 8.028) 14.930 13.618 ( 11.370 -11.370 -5.690) 17.056 14.866 ( -10.810 10.810 1.330) 15.346 14.925 ( -10.120 10.120 -1.158) 14.358 16.040 ( -5.871 5.871 1.482) 8.434 16.109 ( -5.360 5.360 -1.429) 7.713 17.362 ( 6.835 -6.835 0.142) 9.667 17.367 ( 7.231 -7.231 -0.052) 10.227 21.232 ( 9.963 -9.963 0.934) 14.120 21.298 ( 10.963 -10.963 -2.475) 15.700 21.409 ( 12.702 -12.702 3.085) 18.226 21.502 ( 14.611 -14.611 -1.488) 20.717======================= Grid point 53 (28/84) =======================q-point: ( 0.08 -0.08 0.08)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.990 ( 0.000 21.514 -0.000) 21.514 1.381 ( 0.000 33.130 -0.000) 33.130 2.253 ( 0.000 3.296 -0.000) 3.296 2.402 ( 0.000 39.680 -0.000) 39.680 2.587 ( 0.000 14.672 -0.000) 14.672 3.148 ( 0.000 12.870 -0.000) 12.870 3.824 ( 0.000 2.396 -0.000) 2.396 5.220 ( 0.000 3.102 -0.000) 3.102 5.309 ( 0.000 62.225 -0.000) 62.225 5.561 ( 0.000 23.646 -0.000) 23.646 5.906 ( 0.000 30.538 -0.000) 30.538 6.396 ( 0.000 40.921 -0.000) 40.921 6.623 ( 0.000 9.297 -0.000) 9.297 7.621 ( -0.000 -1.241 0.000) 1.241 7.926 ( 0.000 5.599 -0.000) 5.599 8.099 ( 0.000 9.964 -0.000) 9.964 8.581 ( -0.000 -7.046 0.000) 7.046 8.600 ( -0.000 -1.279 0.000) 1.279 8.996 ( 0.000 12.946 -0.000) 12.946 9.332 ( 0.000 1.883 -0.000) 1.883 9.651 ( 0.000 43.119 -0.000) 43.119 9.871 ( -0.000 -7.578 0.000) 7.578 10.408 ( -0.000 -7.848 0.000) 7.848 10.560 ( -0.000 -8.040 0.000) 8.040 10.718 ( -0.000 -0.530 0.000) 0.530 11.044 ( -0.000 -3.105 0.000) 3.105 11.473 ( 0.000 8.380 -0.000) 8.380 11.563 ( -0.000 -21.987 0.000) 21.987 12.851 ( -0.000 -12.643 0.000) 12.643 12.973 ( -0.000 -15.992 0.000) 15.992 13.662 ( 0.000 7.202 -0.000) 7.202 14.336 ( -0.000 -11.047 0.000) 11.047 14.348 ( 0.000 18.264 -0.000) 18.264 15.311 ( -0.000 -1.139 0.000) 1.139 15.850 ( 0.000 18.258 -0.000) 18.258 15.939 ( -0.000 -35.271 0.000) 35.271 17.666 ( -0.000 -2.050 0.000) 2.050 17.843 ( 0.000 1.304 -0.000) 1.304 21.962 ( -0.000 -6.435 0.000) 6.435 22.026 ( -0.000 -0.293 0.000) 0.293 22.118 ( -0.000 -0.872 0.000) 0.872 22.679 ( -0.000 -12.507 0.000) 12.507======================= Grid point 54 (29/84) =======================q-point: ( 0.08 -0.08 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.751 ( 30.032 10.976 0.000) 31.975 2.096 ( 7.312 26.674 -0.000) 27.658 2.465 ( 12.451 5.019 0.000) 13.424 2.920 ( 3.401 14.507 -0.000) 14.900 2.988 ( -1.649 21.116 -0.000) 21.180 3.787 ( 3.927 4.839 -0.000) 6.232 4.218 ( 54.288 13.660 0.000) 55.980 5.475 ( 16.156 5.449 0.000) 17.050 6.322 ( 5.555 27.857 -0.000) 28.405 6.532 ( 40.716 24.626 0.000) 47.584 6.739 ( 3.214 44.600 -0.000) 44.715 6.755 ( 1.289 7.678 -0.000) 7.785 7.077 ( -2.658 17.126 -0.000) 17.331 7.515 ( -6.181 -1.169 -0.000) 6.290 7.977 ( -3.418 -3.810 0.000) 5.118 8.456 ( 19.870 11.430 0.000) 22.923 8.482 ( 1.541 -9.529 0.000) 9.653 8.830 ( 23.505 8.824 0.000) 25.107 9.331 ( 2.024 -1.603 0.000) 2.582 9.518 ( -3.740 40.123 -0.000) 40.297 9.756 ( 5.121 -8.729 0.000) 10.120 10.161 ( -6.381 -8.448 0.000) 10.587 10.377 ( -3.269 -2.901 -0.000) 4.371 10.432 ( 2.953 11.428 -0.000) 11.803 10.687 ( -16.337 -5.621 -0.000) 17.277 11.048 ( 0.132 43.583 -0.000) 43.583 11.520 ( 21.916 -16.771 0.000) 27.597 11.705 ( -0.527 17.834 -0.000) 17.842 12.356 ( -9.944 -16.194 0.000) 19.003 12.787 ( 6.385 -14.988 0.000) 16.292 13.712 ( -0.988 1.469 -0.000) 1.770 14.025 ( -5.013 -13.620 0.000) 14.513 14.774 ( -2.455 26.992 -0.000) 27.104 15.124 ( -13.259 -27.545 0.000) 30.570 15.363 ( 4.530 1.160 0.000) 4.676 16.158 ( -6.133 18.947 -0.000) 19.914 17.625 ( 0.383 -3.042 0.000) 3.066 17.803 ( -2.986 -2.221 -0.000) 3.722 21.727 ( -1.960 -13.983 0.000) 14.120 22.003 ( -1.957 -1.300 -0.000) 2.350 22.052 ( -4.187 -4.801 0.000) 6.370 22.341 ( -0.372 -18.021 0.000) 18.024======================= Grid point 55 (30/84) =======================q-point: ( 0.08 -0.08 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.525 ( 28.569 6.209 0.000) 29.236 2.698 ( 13.391 12.842 0.000) 18.554 2.938 ( 14.182 11.736 0.000) 18.408 3.296 ( 5.681 12.703 -0.000) 13.916 3.312 ( 1.176 13.433 -0.000) 13.485 3.882 ( 1.531 2.559 -0.000) 2.982 5.695 ( 43.088 16.746 0.000) 46.228 5.995 ( 18.988 5.731 0.000) 19.834 6.697 ( 11.285 -1.924 0.000) 11.448 6.940 ( 0.335 7.477 -0.000) 7.485 7.014 ( -11.694 1.965 -0.000) 11.858 7.218 ( -19.890 5.500 -0.000) 20.636 7.599 ( -3.617 3.842 -0.000) 5.276 7.742 ( 10.615 36.159 -0.000) 37.685 8.407 ( 79.280 -5.353 0.000) 79.460 8.430 ( 17.925 -7.220 0.000) 19.324 9.104 ( 20.630 0.703 0.000) 20.642 9.260 ( 10.888 -3.050 0.000) 11.307 9.617 ( -0.423 -6.028 0.000) 6.043 9.783 ( -3.739 -6.898 0.000) 7.846 9.834 ( 27.695 25.657 0.000) 37.753 10.187 ( -8.324 -1.717 -0.000) 8.499 10.209 ( -15.087 4.621 -0.000) 15.779 10.615 ( 3.210 35.903 -0.000) 36.046 10.826 ( 25.193 5.368 0.000) 25.759 11.567 ( 12.976 -17.307 0.000) 21.631 11.590 ( 2.259 3.733 -0.000) 4.364 11.936 ( -2.799 -6.775 0.000) 7.331 12.588 ( -5.984 67.720 -0.000) 67.984 12.602 ( 2.241 -10.547 0.000) 10.782 13.646 ( -8.410 -7.014 -0.000) 10.951 13.773 ( 10.189 -4.195 0.000) 11.019 14.366 ( -17.993 -15.103 -0.000) 23.491 15.309 ( 8.043 15.844 -0.000) 17.769 15.547 ( -4.468 19.730 -0.000) 20.230 16.391 ( -7.777 18.108 -0.000) 19.708 17.536 ( -2.134 -4.472 0.000) 4.956 17.637 ( -5.490 -5.545 0.000) 7.803 21.332 ( -1.461 -20.663 0.000) 20.715 21.637 ( -6.450 -22.629 0.000) 23.530 21.877 ( -7.812 -1.434 -0.000) 7.942 22.040 ( -5.586 -7.737 0.000) 9.543======================= Grid point 56 (31/84) =======================q-point: ( 0.08 -0.08 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.167 ( 23.089 5.331 0.000) 23.697 3.204 ( 16.654 6.552 0.000) 17.897 3.394 ( 10.258 7.593 0.000) 12.763 3.611 ( 5.177 9.059 -0.000) 10.434 3.637 ( 5.144 9.163 -0.000) 10.508 3.957 ( 1.739 1.295 0.000) 2.168 5.994 ( -8.730 -5.397 -0.000) 10.264 6.409 ( -5.476 8.402 -0.000) 10.029 6.655 ( -16.436 -3.493 -0.000) 16.803 6.788 ( -21.170 -2.092 -0.000) 21.273 7.138 ( 35.654 -1.495 0.000) 35.685 7.231 ( 6.282 10.692 -0.000) 12.401 7.626 ( 1.070 4.811 -0.000) 4.929 8.238 ( 15.105 -6.365 0.000) 16.392 8.984 ( 4.087 -11.083 0.000) 11.813 9.211 ( 16.189 24.596 -0.000) 29.446 9.532 ( 0.687 -1.000 0.000) 1.214 9.664 ( 19.072 0.899 0.000) 19.093 9.931 ( -1.095 2.430 -0.000) 2.666 9.933 ( -9.167 2.914 -0.000) 9.618 9.939 ( 23.712 2.354 0.000) 23.828 10.153 ( 74.389 -6.332 0.000) 74.658 10.930 ( -8.848 -10.604 0.000) 13.811 10.953 ( 26.451 14.274 0.000) 30.056 11.601 ( 27.903 6.824 0.000) 28.725 11.629 ( 9.567 8.107 0.000) 12.540 11.678 ( 22.940 1.221 0.000) 22.972 12.104 ( 9.762 12.953 -0.000) 16.220 12.504 ( 6.063 -6.077 0.000) 8.584 13.233 ( -7.791 2.460 -0.000) 8.171 13.760 ( -13.381 -2.408 -0.000) 13.596 13.931 ( 20.224 -11.689 0.000) 23.359 14.019 ( -11.080 56.330 -0.000) 57.409 15.611 ( 15.135 -4.126 0.000) 15.687 16.046 ( -13.670 39.832 -0.000) 42.112 16.583 ( -7.928 16.478 -0.000) 18.286 17.343 ( -5.885 -6.607 0.000) 8.848 17.360 ( -7.258 -8.689 0.000) 11.322 20.872 ( -0.472 -21.103 0.000) 21.109 21.008 ( -4.133 -26.206 0.000) 26.529 21.628 ( -14.381 -0.704 -0.000) 14.398 21.718 ( -14.384 -4.250 -0.000) 14.999======================= Grid point 57 (32/84) =======================q-point: ( 0.08 -0.08 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.610 ( 14.099 1.795 0.000) 14.213 3.647 ( 14.930 2.216 0.000) 15.093 3.675 ( 7.465 3.257 0.000) 8.144 3.847 ( 2.928 3.423 -0.000) 4.505 3.859 ( 6.322 3.203 0.000) 7.087 3.998 ( 1.548 -0.641 0.000) 1.675 5.666 ( -8.190 -4.457 -0.000) 9.324 6.213 ( -18.479 3.821 -0.000) 18.870 6.218 ( -15.974 -5.983 -0.000) 17.057 6.371 ( -16.049 -0.922 -0.000) 16.076 7.642 ( 10.452 9.981 0.000) 14.452 7.810 ( 26.666 -3.006 0.000) 26.835 7.851 ( 7.383 9.970 -0.000) 12.406 8.374 ( 26.925 -14.174 0.000) 30.428 8.861 ( 4.517 -6.786 0.000) 8.152 9.454 ( -6.757 4.081 -0.000) 7.894 9.517 ( -13.525 0.824 -0.000) 13.551 9.734 ( -14.414 6.008 -0.000) 15.616 9.913 ( -7.564 14.020 -0.000) 15.930 9.937 ( 7.167 -4.484 0.000) 8.455 10.442 ( -15.070 0.531 -0.000) 15.080 10.918 ( 6.787 -13.203 0.000) 14.845 11.222 ( 54.953 9.175 0.000) 55.714 11.465 ( 53.240 -12.519 0.000) 54.692 11.912 ( 11.985 -0.270 0.000) 11.988 12.462 ( 27.513 7.756 0.000) 28.585 12.492 ( 25.327 6.234 0.000) 26.083 12.526 ( 7.558 6.199 0.000) 9.775 12.716 ( 18.129 2.616 0.000) 18.317 13.046 ( -7.483 -2.020 -0.000) 7.751 13.718 ( 12.719 16.102 -0.000) 20.519 14.097 ( 28.737 -20.655 0.000) 35.390 14.850 ( -2.683 27.919 -0.000) 28.047 15.856 ( 14.507 -0.845 0.000) 14.532 16.366 ( -17.074 17.645 -0.000) 24.553 16.736 ( -7.668 14.016 -0.000) 15.976 16.994 ( -8.038 -11.503 0.000) 14.033 17.057 ( -8.545 -5.413 -0.000) 10.116 20.523 ( -1.628 -12.518 0.000) 12.623 20.533 ( -0.255 -9.584 0.000) 9.588 21.271 ( -20.124 0.358 -0.000) 20.127 21.294 ( -20.625 -1.896 -0.000) 20.712======================= Grid point 58 (33/84) =======================q-point: (-0.92 -0.08 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.825 ( 6.517 -0.280 0.000) 6.523 3.850 ( 6.836 -2.779 0.000) 7.379 3.859 ( 8.195 -1.833 0.000) 8.397 3.935 ( 2.746 0.711 0.000) 2.837 3.948 ( 2.346 -4.147 0.000) 4.765 3.991 ( 1.023 -2.427 0.000) 2.634 5.603 ( 0.752 5.520 -0.000) 5.571 5.833 ( -11.055 -4.097 -0.000) 11.790 5.997 ( -11.368 7.294 -0.000) 13.506 6.081 ( -12.999 1.989 -0.000) 13.150 7.900 ( 11.839 -5.534 0.000) 13.068 7.969 ( 12.041 -12.952 0.000) 17.684 8.383 ( 12.621 18.360 -0.000) 22.279 8.810 ( 16.538 -7.684 0.000) 18.236 8.968 ( 6.957 6.092 0.000) 9.247 9.220 ( 2.069 -2.784 0.000) 3.469 9.309 ( -12.960 -2.139 -0.000) 13.135 9.616 ( -12.104 9.545 -0.000) 15.415 9.680 ( -12.315 0.480 -0.000) 12.324 9.681 ( -1.149 -24.113 0.000) 24.140 10.600 ( -4.837 19.619 -0.000) 20.207 10.793 ( -1.949 -2.968 0.000) 3.551 11.982 ( 6.838 5.192 0.000) 8.586 12.043 ( 16.176 -4.937 0.000) 16.913 12.279 ( 23.970 -3.738 0.000) 24.260 12.505 ( 1.145 -9.706 0.000) 9.773 12.801 ( 10.926 -0.471 0.000) 10.936 12.941 ( 5.373 -10.286 0.000) 11.605 13.042 ( 12.865 4.900 0.000) 13.767 13.098 ( 11.902 1.119 0.000) 11.955 14.355 ( 44.608 -23.218 0.000) 50.289 14.796 ( 27.624 7.968 0.000) 28.751 14.927 ( 19.751 -11.645 0.000) 22.928 15.940 ( -16.600 -21.387 0.000) 27.074 16.196 ( 10.599 5.157 0.000) 11.787 16.583 ( -7.240 -13.096 0.000) 14.964 16.831 ( -8.227 11.041 -0.000) 13.769 16.875 ( -9.338 5.851 -0.000) 11.019 20.498 ( -0.752 11.351 -0.000) 11.376 20.521 ( -0.817 9.452 -0.000) 9.488 20.841 ( -20.819 0.237 -0.000) 20.821 20.848 ( -21.737 1.050 -0.000) 21.763======================= Grid point 68 (34/84) =======================q-point: (-0.40 -0.10 0.10)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.605 ( -0.000 -8.730 2.978) 9.224 2.403 ( 0.000 -5.158 -1.845) 5.478 2.660 ( 0.000 -21.334 -7.207) 22.518 3.099 ( -0.000 -13.485 6.594) 15.010 3.395 ( 0.000 -9.554 -5.337) 10.944 3.767 ( -0.000 -4.807 8.426) 9.701 3.972 ( 0.000 -22.335 -4.039) 22.697 5.322 ( -0.000 -7.147 6.682) 9.784 6.327 ( 0.000 0.015 -4.251) 4.251 6.654 ( -0.000 -10.414 -0.016) 10.414 7.004 ( 0.000 -3.636 -9.133) 9.830 7.366 ( -0.000 -7.877 2.678) 8.320 7.517 ( -0.000 -33.591 4.401) 33.878 7.717 ( -0.000 -9.474 1.731) 9.631 8.274 ( 0.000 6.469 0.274) 6.475 8.315 ( 0.000 -11.543 -1.163) 11.601 8.531 ( 0.000 -8.313 -2.704) 8.742 8.549 ( -0.000 -15.485 1.677) 15.575 9.245 ( 0.000 5.702 0.135) 5.704 9.488 ( 0.000 9.884 0.037) 9.884 10.045 ( 0.000 4.327 -0.929) 4.426 10.132 ( 0.000 11.935 -0.034) 11.935 10.250 ( -0.000 -14.680 10.707) 18.170 10.661 ( 0.000 -29.054 -4.153) 29.350 10.901 ( 0.000 3.575 -0.310) 3.589 11.085 ( 0.000 8.134 -17.013) 18.857 11.548 ( -0.000 -1.650 3.203) 3.603 12.033 ( 0.000 29.619 0.023) 29.619 12.201 ( -0.000 8.899 8.995) 12.653 12.741 ( -0.000 -64.007 -1.668) 64.028 13.690 ( -0.000 -4.679 4.001) 6.156 13.977 ( 0.000 13.721 -8.287) 16.029 14.765 ( -0.000 16.297 1.553) 16.370 15.055 ( 0.000 -2.258 -0.178) 2.265 15.722 ( -0.000 -34.117 0.102) 34.117 16.586 ( -0.000 -16.775 0.089) 16.775 17.571 ( 0.000 2.355 -0.120) 2.358 17.760 ( 0.000 5.214 0.005) 5.214 21.373 ( 0.000 22.557 -0.466) 22.562 21.811 ( 0.000 28.546 0.756) 28.556 22.014 ( -0.000 0.125 0.023) 0.127 22.075 ( 0.000 1.184 -0.030) 1.185======================= Grid point 69 (35/84) =======================q-point: (-0.40 -0.10 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.748 ( 29.557 -9.888 0.224) 31.168 2.232 ( 6.599 -21.483 -12.235) 25.589 2.453 ( 14.456 -8.678 0.273) 16.863 2.814 ( 3.200 -18.133 7.352) 19.827 3.108 ( -0.704 -15.623 -8.422) 17.762 3.650 ( 0.627 -5.589 13.432) 14.562 4.265 ( 55.187 -14.241 -4.910) 57.206 5.385 ( 18.764 -7.409 7.687) 21.588 6.283 ( 5.181 -29.724 2.430) 30.270 6.577 ( 38.619 -23.871 -3.532) 45.538 6.650 ( 4.499 -42.620 4.028) 43.046 6.964 ( 0.304 -8.763 -12.713) 15.444 7.097 ( -2.852 -13.377 -3.346) 14.081 7.497 ( -5.704 1.362 2.687) 6.451 8.004 ( -4.918 5.908 -2.150) 7.982 8.422 ( 17.443 -10.388 2.708) 20.482 8.474 ( 4.920 7.555 0.962) 9.067 8.853 ( 23.935 -10.006 -1.842) 26.008 9.364 ( 0.945 2.981 -3.216) 4.486 9.506 ( -3.213 -35.176 1.568) 35.357 9.744 ( 4.131 5.995 0.899) 7.336 10.151 ( -6.592 9.041 0.237) 11.192 10.342 ( -8.438 2.785 2.965) 9.367 10.427 ( 4.122 -2.759 0.148) 4.963 10.776 ( -8.853 -13.793 -7.451) 18.004 11.016 ( 0.411 -34.690 3.261) 34.845 11.518 ( 18.064 7.402 0.040) 19.521 11.799 ( -1.109 -7.297 -8.947) 11.599 12.302 ( -8.974 13.348 6.031) 17.177 12.698 ( 3.991 12.951 6.838) 15.180 13.621 ( 3.503 -0.993 4.439) 5.741 14.264 ( -6.209 17.974 -17.190) 25.635 14.780 ( -3.018 -25.277 -0.864) 25.471 15.067 ( -13.714 25.339 5.772) 29.384 15.364 ( 4.558 -0.963 -0.042) 4.659 16.158 ( -6.299 -18.853 0.031) 19.877 17.629 ( 0.485 3.167 -0.271) 3.215 17.801 ( -3.051 2.103 0.156) 3.709 21.732 ( -2.356 14.022 -0.419) 14.224 21.983 ( -3.839 1.490 1.195) 4.288 22.094 ( -1.051 4.938 -3.430) 6.104 22.300 ( -0.899 16.578 3.900) 17.054======================= Grid point 70 (36/84) =======================q-point: (-0.40 -0.10 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.025 ( 18.493 -18.493 -12.114) 28.823 2.153 ( 20.199 -20.199 -2.060) 28.640 2.525 ( 14.772 -14.772 3.085) 21.117 2.585 ( 9.926 -9.926 2.064) 14.188 2.880 ( 9.973 -9.973 -11.588) 18.254 3.594 ( 3.039 -3.039 18.295) 18.792 5.101 ( 30.031 -30.031 -7.053) 43.052 5.424 ( 26.792 -26.792 7.210) 38.570 5.963 ( 26.713 -26.713 4.680) 38.067 6.056 ( 27.567 -27.567 7.073) 39.621 6.704 ( 17.517 -17.517 -3.881) 25.075 6.810 ( 16.759 -16.759 0.881) 23.717 6.943 ( 2.435 -2.435 -20.579) 20.865 7.499 ( -1.564 1.564 3.899) 4.483 8.254 ( 18.518 -18.518 -6.163) 26.904 8.509 ( 20.913 -20.913 5.937) 30.166 8.803 ( 2.170 -2.170 -1.828) 3.572 8.828 ( 7.752 -7.752 -0.037) 10.963 9.350 ( 18.637 -18.637 -0.757) 26.367 9.364 ( 9.256 -9.256 -2.131) 13.262 9.520 ( 5.535 -5.535 -5.251) 9.426 9.875 ( -2.699 2.699 7.120) 8.079 10.200 ( -8.046 8.046 -1.097) 11.431 10.310 ( -10.393 10.393 6.155) 15.935 10.691 ( -4.030 4.030 -8.803) 10.487 10.859 ( 5.081 -5.081 1.171) 7.280 11.631 ( 2.942 -2.942 -10.382) 11.184 12.253 ( -0.041 0.041 -1.209) 1.210 12.366 ( -10.820 10.820 18.792) 24.234 12.481 ( -6.572 6.572 3.885) 10.073 14.004 ( 8.990 -8.990 -2.008) 12.872 14.099 ( 6.603 -6.603 1.946) 9.539 14.467 ( -15.160 15.160 -24.258) 32.375 15.194 ( -25.369 25.369 9.804) 37.193 15.609 ( 4.925 -4.925 -1.436) 7.111 15.683 ( 5.211 -5.211 1.633) 7.548 17.699 ( -1.602 1.602 -1.328) 2.626 17.757 ( -2.199 2.199 1.120) 3.305 21.853 ( -4.818 4.818 -1.118) 6.905 21.940 ( -4.172 4.172 3.612) 6.918 22.158 ( -4.094 4.094 -7.196) 9.236 22.461 ( -7.484 7.484 6.800) 12.580======================= Grid point 75 (37/84) =======================q-point: ( 0.60 -0.10 -0.37)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.259 ( -2.331 23.017 0.519) 23.141 3.282 ( -1.440 17.929 -0.045) 17.986 3.526 ( -2.810 8.188 1.010) 8.715 3.742 ( -3.773 6.656 -2.501) 8.050 3.760 ( -2.456 4.518 2.690) 5.803 3.947 ( -1.147 1.334 -1.748) 2.480 5.902 ( 2.748 -14.526 -0.003) 14.784 6.520 ( -5.213 -17.020 -3.116) 18.071 6.645 ( 1.660 -17.976 3.816) 18.451 6.752 ( 2.128 -19.319 -0.075) 19.436 7.124 ( 0.737 37.521 0.482) 37.531 7.501 ( -8.196 8.086 4.090) 12.218 7.708 ( -8.005 6.564 -3.412) 10.900 7.949 ( 14.407 11.509 -1.611) 18.510 8.785 ( 5.310 2.641 -0.744) 5.977 9.472 ( -0.245 7.050 -1.399) 7.192 9.561 ( -8.261 16.537 -3.243) 18.768 9.785 ( -0.321 28.019 6.369) 28.735 9.952 ( -1.233 47.666 -2.948) 47.773 10.053 ( -7.130 8.275 0.876) 10.958 10.065 ( -1.139 16.901 1.138) 16.978 10.116 ( -3.640 6.031 2.850) 7.599 10.646 ( 1.830 -3.205 -5.851) 6.917 10.914 ( 17.539 -3.389 3.367) 18.178 11.687 ( 0.071 11.253 0.224) 11.255 11.783 ( -3.884 37.938 0.055) 38.137 11.858 ( -19.618 32.504 0.535) 37.969 12.243 ( 15.738 23.525 -1.558) 28.347 12.386 ( -8.782 8.536 -0.321) 12.251 13.319 ( 0.505 -9.517 3.789) 10.255 13.639 ( -0.558 -1.289 -4.670) 4.877 13.779 ( 5.735 0.414 1.971) 6.079 14.956 ( -26.900 -6.745 0.004) 27.732 15.553 ( 1.543 14.726 0.039) 14.807 16.692 ( -19.227 -14.620 -0.011) 24.154 16.894 ( -14.107 -7.760 -0.031) 16.101 17.154 ( 11.465 -7.550 0.036) 13.728 17.223 ( 4.302 -7.704 -0.002) 8.824 20.530 ( 10.102 0.579 -0.007) 10.118 20.562 ( 13.887 -2.159 0.035) 14.054 21.627 ( -0.597 -14.584 0.038) 14.597 21.655 ( 2.125 -14.589 -0.031) 14.743======================= Grid point 76 (38/84) =======================q-point: ( 0.60 -0.10 -0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.524 ( -7.320 13.909 1.337) 15.774 3.571 ( -4.687 14.128 -0.161) 14.886 3.616 ( -4.610 9.615 1.681) 10.795 3.713 ( -8.754 4.830 -0.483) 10.010 3.757 ( -8.865 5.364 2.526) 10.665 3.946 ( -2.321 2.298 -4.543) 5.595 5.839 ( 11.038 -6.231 0.716) 12.696 6.121 ( -0.537 -15.114 -2.913) 15.401 6.386 ( 6.756 -13.898 2.301) 15.624 6.432 ( 4.512 -14.457 0.586) 15.156 7.435 ( -10.682 9.520 4.201) 14.912 7.645 ( -6.372 6.415 -4.212) 9.975 7.906 ( -3.669 29.748 8.478) 31.149 8.524 ( 2.904 21.374 -10.390) 23.942 9.056 ( 11.430 5.274 -1.303) 12.656 9.236 ( -13.489 -3.530 0.742) 13.963 9.351 ( -6.939 -9.507 -5.960) 13.193 9.553 ( -8.566 -16.562 -2.915) 18.872 9.828 ( 5.082 -9.819 10.120) 14.989 9.997 ( 0.846 4.170 2.217) 4.798 10.673 ( 9.249 -4.121 3.498) 10.713 10.997 ( -0.887 8.707 -5.096) 10.128 11.075 ( -7.323 48.399 2.167) 48.998 11.675 ( -3.189 31.738 -6.804) 32.616 11.887 ( 3.562 16.112 2.125) 16.637 12.204 ( -15.649 19.814 0.604) 25.256 12.289 ( -8.871 18.578 1.943) 20.679 12.376 ( -12.903 46.686 3.306) 48.549 12.566 ( -6.443 6.115 -4.526) 9.970 13.147 ( 1.634 -5.648 6.434) 8.716 13.492 ( -2.144 -5.508 -4.280) 7.298 13.863 ( -63.712 -3.186 -0.033) 63.792 14.514 ( 19.796 35.280 0.162) 40.455 15.680 ( -33.444 -15.838 0.023) 37.005 15.982 ( -0.815 14.315 0.133) 14.339 16.426 ( -16.257 -7.112 -0.129) 17.745 17.204 ( 9.003 -7.945 0.086) 12.008 17.208 ( 8.108 -7.614 -0.022) 11.123 20.859 ( 20.077 -0.837 -0.000) 20.095 20.930 ( 23.912 -3.562 0.033) 24.176 21.279 ( 1.269 -19.698 0.115) 19.740 21.352 ( 4.037 -21.168 -0.083) 21.549======================= Grid point 81 (39/84) =======================q-point: ( 0.12 -0.12 0.12)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 0.000 16.170 -0.000) 16.170 2.028 ( 0.000 30.144 -0.000) 30.144 2.319 ( 0.000 3.135 -0.000) 3.135 2.885 ( 0.000 14.364 -0.000) 14.364 3.023 ( 0.000 22.098 -0.000) 22.098 3.475 ( 0.000 19.256 -0.000) 19.256 3.836 ( 0.000 0.435 -0.000) 0.435 5.300 ( 0.000 4.638 -0.000) 4.638 6.037 ( 0.000 20.444 -0.000) 20.444 6.272 ( 0.000 30.560 -0.000) 30.560 6.714 ( 0.000 45.123 -0.000) 45.123 6.742 ( 0.000 8.107 -0.000) 8.107 7.111 ( 0.000 22.429 -0.000) 22.429 7.627 ( 0.000 2.547 -0.000) 2.547 8.069 ( 0.000 8.813 -0.000) 8.813 8.301 ( 0.000 9.870 -0.000) 9.870 8.472 ( -0.000 -2.138 0.000) 2.138 8.475 ( -0.000 -9.317 0.000) 9.317 9.312 ( -0.000 -2.271 0.000) 2.271 9.557 ( 0.000 40.187 -0.000) 40.187 9.692 ( -0.000 -9.742 0.000) 9.742 10.234 ( -0.000 -8.247 0.000) 8.247 10.366 ( -0.000 -10.774 0.000) 10.774 10.439 ( 0.000 10.092 -0.000) 10.092 10.973 ( -0.000 -3.743 0.000) 3.743 11.051 ( 0.000 47.925 -0.000) 47.925 11.170 ( -0.000 -16.318 0.000) 16.318 11.713 ( 0.000 19.108 -0.000) 19.108 12.573 ( -0.000 -23.235 0.000) 23.235 12.574 ( -0.000 -14.033 0.000) 14.033 13.755 ( 0.000 2.696 -0.000) 2.696 14.076 ( -0.000 -13.910 0.000) 13.910 14.796 ( 0.000 22.867 -0.000) 22.867 15.265 ( -0.000 -29.399 0.000) 29.399 15.324 ( 0.000 4.921 -0.000) 4.921 16.228 ( 0.000 18.423 -0.000) 18.423 17.620 ( -0.000 -2.475 0.000) 2.475 17.835 ( -0.000 -2.085 0.000) 2.085 21.748 ( -0.000 -14.734 0.000) 14.734 22.019 ( -0.000 -0.289 0.000) 0.289 22.098 ( -0.000 -1.109 0.000) 1.109 22.337 ( -0.000 -21.269 0.000) 21.269======================= Grid point 82 (40/84) =======================q-point: ( 0.12 -0.12 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.945 ( 25.812 7.950 0.000) 27.009 2.471 ( 8.394 7.209 0.000) 11.065 2.688 ( 9.426 19.242 -0.000) 21.427 3.200 ( 3.477 12.859 -0.000) 13.320 3.311 ( -1.080 11.327 -0.000) 11.379 3.860 ( 0.590 2.868 -0.000) 2.928 4.581 ( 54.498 21.374 0.000) 58.539 5.587 ( 17.043 5.666 0.000) 17.960 6.636 ( -1.241 5.408 -0.000) 5.548 6.866 ( 52.362 3.573 0.000) 52.484 6.912 ( 2.140 7.352 -0.000) 7.657 7.297 ( -8.426 6.045 -0.000) 10.371 7.554 ( -12.554 6.219 -0.000) 14.010 7.600 ( 3.359 37.165 -0.000) 37.316 7.923 ( -21.781 2.895 -0.000) 21.973 8.282 ( 1.273 -8.392 0.000) 8.488 8.654 ( 21.264 7.911 0.000) 22.688 9.078 ( 18.535 10.016 0.000) 21.068 9.317 ( 13.609 4.461 0.000) 14.322 9.552 ( 4.995 -9.382 0.000) 10.629 9.934 ( -8.450 -5.368 -0.000) 10.011 10.261 ( 6.664 -4.631 0.000) 8.115 10.463 ( 4.702 -1.753 0.000) 5.019 10.490 ( -7.989 31.447 -0.000) 32.446 10.612 ( -7.127 7.578 -0.000) 10.403 11.238 ( 17.068 -10.880 0.000) 20.241 11.570 ( 0.186 2.632 -0.000) 2.638 12.014 ( -2.755 -17.806 0.000) 18.018 12.431 ( 10.723 -17.939 0.000) 20.899 12.683 ( -3.243 66.587 -0.000) 66.666 13.741 ( -3.350 1.132 -0.000) 3.536 13.779 ( -4.549 -7.248 0.000) 8.557 14.668 ( -10.864 -16.813 0.000) 20.017 15.125 ( 6.991 3.456 0.000) 7.798 15.671 ( -4.993 32.875 -0.000) 33.252 16.530 ( -5.340 17.399 -0.000) 18.200 17.563 ( -0.715 -2.976 0.000) 3.061 17.727 ( -3.172 -5.299 0.000) 6.176 21.357 ( -0.926 -21.807 0.000) 21.826 21.759 ( -5.158 -25.765 0.000) 26.276 21.985 ( -3.125 -0.568 -0.000) 3.176 22.088 ( 0.195 -4.735 0.000) 4.739======================= Grid point 83 (41/84) =======================q-point: ( 0.12 -0.12 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.638 ( 28.401 4.774 0.000) 28.799 2.858 ( 16.725 4.595 0.000) 17.344 3.196 ( 8.810 11.481 -0.000) 14.472 3.519 ( 3.695 6.953 -0.000) 7.874 3.528 ( 5.290 9.845 -0.000) 11.176 3.927 ( 1.138 1.706 -0.000) 2.051 6.034 ( 19.923 12.833 0.000) 23.699 6.149 ( 28.288 13.330 0.000) 31.272 6.575 ( 10.949 -8.438 0.000) 13.823 7.027 ( -19.465 0.674 -0.000) 19.477 7.117 ( 2.093 7.910 -0.000) 8.183 7.226 ( -13.092 -5.082 -0.000) 14.044 7.656 ( -4.153 2.028 -0.000) 4.621 7.995 ( 8.568 -9.298 0.000) 12.644 8.366 ( 69.132 2.802 0.000) 69.189 8.585 ( 22.787 16.600 0.000) 28.193 9.006 ( 5.397 -7.989 0.000) 9.641 9.253 ( 20.985 1.182 0.000) 21.018 9.504 ( 3.815 -4.282 0.000) 5.735 9.737 ( -4.951 6.128 -0.000) 7.878 10.190 ( -4.153 2.494 -0.000) 4.844 10.236 ( -14.163 1.057 -0.000) 14.202 10.392 ( 26.002 27.090 -0.000) 37.550 10.917 ( 34.300 4.002 0.000) 34.532 11.039 ( -1.793 -3.912 0.000) 4.304 11.422 ( 10.414 5.273 0.000) 11.672 11.458 ( 4.277 -14.216 0.000) 14.846 11.914 ( 10.628 3.855 0.000) 11.305 12.311 ( 10.841 -14.468 0.000) 18.080 13.357 ( -4.675 3.510 -0.000) 5.846 13.717 ( 2.046 -1.950 0.000) 2.827 14.000 ( -9.362 16.077 -0.000) 18.604 14.287 ( -13.985 31.723 -0.000) 34.669 15.320 ( 12.654 -2.717 0.000) 12.942 16.295 ( -10.284 39.829 -0.000) 41.135 16.740 ( -7.217 16.081 -0.000) 17.626 17.445 ( -4.059 -4.455 0.000) 6.026 17.495 ( -5.813 -8.396 0.000) 10.212 20.878 ( -0.127 -22.452 0.000) 22.452 21.092 ( -3.964 -28.490 0.000) 28.764 21.859 ( -8.408 -0.374 -0.000) 8.416 21.936 ( -7.289 -3.407 -0.000) 8.046======================= Grid point 84 (42/84) =======================q-point: ( 0.12 -0.12 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.254 ( 23.426 2.745 0.000) 23.586 3.282 ( 17.629 1.618 0.000) 17.703 3.516 ( 8.012 3.837 0.000) 8.883 3.727 ( 6.639 2.383 0.000) 7.054 3.774 ( 4.206 4.078 0.000) 5.858 3.964 ( 1.553 -0.797 0.000) 1.745 5.902 ( -14.566 -2.736 -0.000) 14.821 6.582 ( -14.886 8.215 -0.000) 17.002 6.584 ( -19.680 -3.933 -0.000) 20.069 6.744 ( -19.644 -2.143 -0.000) 19.761 7.118 ( 38.257 -0.306 0.000) 38.258 7.459 ( 7.723 10.584 -0.000) 13.102 7.742 ( 3.211 6.505 -0.000) 7.255 7.968 ( 14.576 -16.293 0.000) 21.862 8.793 ( 2.562 -6.158 0.000) 6.669 9.502 ( 2.685 -1.610 0.000) 3.131 9.632 ( 22.668 -3.509 0.000) 22.938 9.661 ( 24.884 14.396 0.000) 28.749 10.005 ( 22.373 5.113 0.000) 22.950 10.024 ( 66.349 -1.987 0.000) 66.378 10.049 ( -7.371 2.797 -0.000) 7.884 10.092 ( 0.102 9.881 -0.000) 9.882 10.726 ( -11.964 -2.837 -0.000) 12.295 10.859 ( 4.754 -18.225 0.000) 18.835 11.684 ( 11.142 0.219 0.000) 11.145 11.782 ( 38.094 4.061 0.000) 38.310 11.852 ( 32.151 18.870 0.000) 37.279 12.261 ( 24.457 -16.003 0.000) 29.227 12.391 ( 7.547 7.993 -0.000) 10.993 13.277 ( -9.289 3.086 -0.000) 9.788 13.720 ( -9.755 1.047 -0.000) 9.811 13.727 ( 8.496 -8.477 0.000) 12.002 14.956 ( -6.731 26.901 -0.000) 27.730 15.553 ( 14.724 -1.497 0.000) 14.800 16.692 ( -14.625 19.217 -0.000) 24.149 16.894 ( -7.743 14.096 -0.000) 16.083 17.154 ( -7.567 -11.445 0.000) 13.720 17.223 ( -7.700 -4.307 -0.000) 8.823 20.530 ( 0.581 -10.110 0.000) 10.127 20.562 ( -2.155 -13.849 0.000) 14.016 21.627 ( -14.582 0.605 -0.000) 14.594 21.655 ( -14.595 -2.128 -0.000) 14.749======================= Grid point 85 (43/84) =======================q-point: (-0.88 -0.12 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.610 ( 14.318 -1.539 0.000) 14.401 3.646 ( 13.965 -2.301 0.000) 14.153 3.702 ( 7.403 -0.954 0.000) 7.464 3.852 ( 6.391 -3.885 0.000) 7.479 3.872 ( 3.346 -0.914 0.000) 3.468 3.960 ( 2.011 -3.275 0.000) 3.843 5.671 ( -7.597 4.971 -0.000) 9.079 6.123 ( -16.960 -3.233 -0.000) 17.265 6.306 ( -18.730 5.260 -0.000) 19.455 6.373 ( -15.753 1.121 -0.000) 15.793 7.692 ( 16.607 -8.226 0.000) 18.533 7.700 ( 7.849 -3.649 0.000) 8.656 8.133 ( 11.527 16.132 -0.000) 19.827 8.147 ( 35.914 -7.651 0.000) 36.720 8.848 ( 4.686 5.526 -0.000) 7.245 9.383 ( -7.889 -4.880 -0.000) 9.276 9.627 ( -17.318 1.506 -0.000) 17.383 9.688 ( 1.468 -19.235 0.000) 19.291 9.862 ( -10.902 4.556 -0.000) 11.816 9.927 ( -11.453 -2.051 -0.000) 11.635 10.700 ( 8.617 -4.343 0.000) 9.650 10.731 ( -6.374 17.262 -0.000) 18.401 11.258 ( 56.755 -8.689 0.000) 57.416 11.438 ( 52.297 12.518 0.000) 53.774 11.898 ( 9.977 -1.023 0.000) 10.029 12.462 ( 21.640 -7.596 0.000) 22.935 12.507 ( 22.535 -6.441 0.000) 23.437 12.558 ( 14.842 0.032 0.000) 14.842 12.668 ( 23.812 -8.497 0.000) 25.283 13.085 ( -12.725 6.223 -0.000) 14.165 13.695 ( 15.516 -17.966 0.000) 23.738 14.102 ( 27.956 20.371 0.000) 34.591 14.850 ( -2.661 -27.934 0.000) 28.060 15.858 ( 14.535 0.965 0.000) 14.567 16.366 ( -17.099 -17.676 0.000) 24.593 16.735 ( -7.704 -14.017 0.000) 15.994 16.996 ( -8.000 11.516 -0.000) 14.022 17.057 ( -8.557 5.391 -0.000) 10.114 20.523 ( -1.649 12.566 -0.000) 12.674 20.533 ( -0.247 9.575 -0.000) 9.578 21.271 ( -20.136 -0.341 -0.000) 20.138 21.293 ( -20.607 1.904 -0.000) 20.695======================= Grid point 87 (44/84) =======================q-point: ( 0.12 0.88 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.760 ( 6.077 -6.466 0.000) 8.874 3.760 ( 6.466 -6.077 0.000) 8.874 3.807 ( 2.975 -9.494 0.000) 9.949 3.807 ( 9.494 -2.975 0.000) 9.949 3.919 ( 3.016 -3.791 0.000) 4.844 3.919 ( 3.791 -3.016 0.000) 4.844 5.791 ( -11.342 1.423 0.000) 11.431 5.791 ( -1.423 11.342 0.000) 11.431 6.181 ( -10.087 8.736 0.000) 13.344 6.181 ( -8.736 10.087 0.000) 13.344 7.727 ( 10.210 -10.210 0.000) 14.439 7.727 ( 10.210 -10.210 0.000) 14.439 8.613 ( 8.562 -9.236 0.000) 12.594 8.613 ( 9.236 -8.562 0.000) 12.594 9.163 ( -4.173 -5.290 0.000) 6.738 9.163 ( 5.290 4.173 0.000) 6.738 9.224 ( 1.560 -1.614 0.000) 2.245 9.224 ( 1.614 -1.560 0.000) 2.245 9.814 ( -9.497 9.492 0.000) 13.427 9.814 ( -9.492 9.497 0.000) 13.427 10.824 ( -3.410 3.131 0.000) 4.629 10.824 ( -3.131 3.410 0.000) 4.629 11.910 ( 11.431 -19.891 0.000) 22.942 11.910 ( 19.891 -11.431 0.000) 22.942 12.251 ( -6.297 -15.368 0.000) 16.608 12.251 ( 15.368 6.297 0.000) 16.608 12.659 ( 12.335 -13.572 0.000) 18.339 12.659 ( 13.572 -12.335 0.000) 18.339 13.129 ( -0.547 0.068 0.000) 0.551 13.129 ( -0.068 0.547 0.000) 0.551 13.957 ( 13.847 -55.610 0.000) 57.308 13.957 ( 55.610 -13.847 0.000) 57.308 15.295 ( -20.829 -38.554 0.000) 43.820 15.295 ( 38.554 20.829 0.000) 43.820 16.296 ( -5.369 -14.987 0.000) 15.920 16.296 ( 14.987 5.369 0.000) 15.920 17.036 ( -9.196 8.613 -0.000) 12.599 17.036 ( -8.613 9.196 -0.000) 12.599 20.825 ( -13.933 6.742 -0.000) 15.479 20.825 ( -6.742 13.933 -0.000) 15.479 20.904 ( -16.991 8.700 -0.000) 19.089 20.904 ( -8.700 16.991 -0.000) 19.089======================= Grid point 97 (45/84) =======================q-point: (-0.37 -0.13 0.13)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.384 ( -0.000 -12.988 -0.630) 13.003 2.178 ( 0.000 -25.426 -14.240) 29.142 2.260 ( -0.000 -8.670 4.607) 9.818 2.784 ( -0.000 -17.641 8.147) 19.431 3.129 ( 0.000 -17.152 -8.097) 18.967 3.591 ( 0.000 -14.951 -9.738) 17.843 3.675 ( -0.000 -4.198 14.654) 15.243 5.170 ( -0.000 -7.747 10.494) 13.044 6.112 ( 0.000 -18.849 -5.561) 19.652 6.239 ( -0.000 -32.552 2.063) 32.618 6.608 ( -0.000 -43.134 4.779) 43.398 6.962 ( 0.000 -9.234 -13.701) 16.523 7.132 ( 0.000 -17.799 -2.837) 18.024 7.597 ( -0.000 -2.076 3.789) 4.320 8.104 ( 0.000 -8.323 -3.278) 8.945 8.336 ( 0.000 -9.081 -3.013) 9.568 8.435 ( -0.000 2.009 3.370) 3.924 8.459 ( -0.000 7.827 1.625) 7.994 9.356 ( 0.000 4.117 -3.997) 5.738 9.540 ( -0.000 -36.521 1.900) 36.571 9.691 ( 0.000 9.733 0.062) 9.733 10.227 ( 0.000 8.694 -0.214) 8.697 10.367 ( 0.000 10.765 -0.026) 10.765 10.445 ( -0.000 -4.194 0.136) 4.197 10.950 ( -0.000 -49.963 5.357) 50.249 10.978 ( 0.000 3.782 -0.361) 3.800 11.274 ( 0.000 1.093 -5.330) 5.440 11.819 ( 0.000 -10.440 -10.857) 15.062 12.447 ( -0.000 11.449 12.249) 16.767 12.573 ( 0.000 23.257 -0.026) 23.257 13.613 ( -0.000 -4.524 7.395) 8.669 14.326 ( 0.000 17.496 -16.579) 24.103 14.810 ( 0.000 -19.989 -1.759) 20.066 15.213 ( -0.000 27.049 5.084) 27.523 15.324 ( -0.000 -4.372 -0.011) 4.372 16.230 ( -0.000 -18.045 -0.174) 18.046 17.621 ( 0.000 2.494 -0.157) 2.499 17.834 ( 0.000 2.035 0.093) 2.037 21.760 ( 0.000 15.098 -1.044) 15.134 22.019 ( -0.000 0.264 0.065) 0.272 22.099 ( 0.000 1.134 -0.072) 1.136 22.306 ( -0.000 19.506 2.608) 19.680======================= Grid point 98 (46/84) =======================q-point: (-0.37 -0.13 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.524 ( 31.880 -12.217 -3.044) 34.277 1.768 ( 11.521 -22.813 -19.195) 31.963 2.278 ( 13.474 -12.130 7.051) 19.452 2.400 ( 5.937 -19.889 2.697) 20.931 2.739 ( 3.997 -20.258 -11.605) 23.686 3.545 ( 2.837 -4.548 15.917) 16.795 4.034 ( 52.903 -8.860 -4.540) 53.832 5.149 ( 8.440 -32.148 7.502) 34.074 5.409 ( 20.499 -37.569 8.049) 43.548 5.819 ( 4.721 -36.413 8.667) 37.727 6.089 ( 34.728 -21.802 -5.238) 41.338 6.531 ( 8.712 -35.303 -2.255) 36.432 6.919 ( 0.357 -3.879 -24.045) 24.359 7.561 ( -4.636 4.705 2.270) 6.984 8.022 ( 3.363 -3.827 -3.800) 6.356 8.189 ( 10.094 -10.208 3.142) 14.696 8.630 ( 3.938 5.599 -0.838) 6.896 8.780 ( 20.145 2.572 0.511) 20.315 8.946 ( -5.305 -14.294 -1.115) 15.287 9.419 ( -1.527 -10.095 -6.004) 11.844 9.613 ( -6.577 -30.471 -4.962) 31.565 9.899 ( 0.904 5.228 3.251) 6.222 10.353 ( -6.301 8.688 -1.645) 10.858 10.503 ( -7.236 8.328 3.756) 11.655 10.682 ( 3.951 5.569 3.573) 7.707 10.875 ( -7.469 -1.627 -2.917) 8.182 11.544 ( 8.948 -1.664 -5.880) 10.836 11.966 ( 15.008 15.979 -3.997) 22.283 12.562 ( -8.989 11.634 11.920) 18.927 12.825 ( -15.020 -0.887 8.286) 17.177 13.635 ( 14.722 2.640 2.517) 15.167 14.185 ( -3.997 -22.548 1.174) 22.930 14.764 ( -11.975 21.987 -31.771) 40.450 15.392 ( 7.786 2.585 -0.222) 8.207 15.648 ( -15.393 26.050 9.341) 31.667 15.789 ( -9.352 -12.825 -0.089) 15.873 17.690 ( 1.516 2.781 -0.682) 3.240 17.814 ( -2.584 -0.784 0.429) 2.735 21.926 ( -3.244 5.482 -0.616) 6.400 22.010 ( -2.191 1.485 1.886) 3.250 22.175 ( 2.488 3.156 -4.964) 6.387 22.556 ( -2.609 7.446 8.359) 11.494======================= Grid point 104 (47/84) =======================q-point: ( 0.63 -0.13 -0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.610 ( -1.652 14.252 0.018) 14.347 3.646 ( -2.279 14.235 -0.034) 14.416 3.689 ( -2.166 7.778 1.112) 8.150 3.833 ( -2.944 4.051 0.099) 5.009 3.883 ( -3.301 5.466 0.703) 6.424 3.977 ( -0.720 1.582 -1.717) 2.443 5.669 ( 4.703 -7.906 0.222) 9.201 6.155 ( -2.407 -17.113 -3.054) 17.549 6.269 ( 4.486 -17.497 2.891) 18.293 6.379 ( 1.049 -16.361 0.196) 16.395 7.654 ( -8.990 11.333 1.420) 14.536 7.754 ( -2.751 14.805 -3.244) 15.404 7.959 ( -2.276 19.148 8.471) 21.061 8.306 ( 10.952 26.372 -6.834) 29.363 8.855 ( 6.164 4.670 -0.568) 7.754 9.415 ( -4.210 -7.467 -2.927) 9.058 9.553 ( -3.344 -13.699 3.706) 14.580 9.763 ( -6.855 -6.870 -0.266) 9.709 9.837 ( -6.777 -6.862 -2.656) 10.003 9.948 ( 0.872 -6.900 -0.621) 6.983 10.538 ( 1.122 -7.019 8.675) 11.215 10.861 ( 11.625 5.140 -5.759) 13.954 11.239 ( -8.904 55.833 1.485) 56.558 11.451 ( 12.584 52.611 -1.114) 54.106 11.907 ( -0.426 11.351 -0.577) 11.374 12.457 ( -4.744 13.991 0.243) 14.775 12.469 ( -8.397 27.640 0.419) 28.891 12.598 ( -5.182 23.093 2.582) 23.807 12.669 ( -4.331 15.492 -3.274) 16.415 13.067 ( 4.078 -9.760 1.631) 10.703 13.707 ( -16.972 14.065 -0.938) 22.062 14.100 ( 20.507 28.333 0.236) 34.977 14.850 ( -27.926 -2.672 -0.005) 28.054 15.857 ( 0.905 14.521 0.049) 14.549 16.366 ( -17.660 -17.087 -0.012) 24.573 16.735 ( -14.016 -7.686 -0.061) 15.985 16.995 ( 11.509 -8.019 0.066) 14.027 17.057 ( 5.402 -8.551 -0.010) 10.115 20.523 ( 12.541 -1.638 0.022) 12.647 20.533 ( 9.581 -0.252 -0.004) 9.584 21.271 ( -0.349 -20.130 0.030) 20.133 21.293 ( 1.900 -20.616 -0.018) 20.704======================= Grid point 105 (48/84) =======================q-point: ( 0.63 -0.13 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.734 ( -7.092 7.092 1.916) 10.210 3.771 ( -5.666 5.666 -0.600) 8.036 3.797 ( -5.952 5.952 0.498) 8.432 3.801 ( -5.348 5.348 0.753) 7.601 3.878 ( -6.418 6.418 0.925) 9.123 3.987 ( -1.491 1.491 -3.080) 3.733 5.722 ( 6.840 -6.840 2.646) 10.028 5.876 ( 6.281 -6.281 -4.043) 9.760 6.142 ( 9.859 -9.859 1.952) 14.078 6.201 ( 8.530 -8.530 -0.265) 12.066 7.658 ( -12.395 12.395 2.692) 17.735 7.798 ( -8.562 8.562 -2.954) 12.463 8.315 ( -9.736 9.736 12.043) 18.293 8.936 ( -2.619 2.619 -13.635) 14.129 9.160 ( 3.078 -3.078 1.424) 4.579 9.207 ( -1.420 1.420 -3.167) 3.750 9.218 ( -12.537 12.537 -3.451) 18.063 9.277 ( 2.047 -2.047 -3.891) 4.849 9.635 ( 8.526 -8.526 10.218) 15.805 9.958 ( 7.300 -7.300 -7.444) 12.727 10.529 ( 6.839 -6.839 16.023) 18.716 11.052 ( 2.763 -2.763 -9.172) 9.969 11.761 ( -15.463 15.463 5.988) 22.673 12.093 ( -15.614 15.614 -9.159) 23.906 12.227 ( -2.732 2.732 0.855) 3.958 12.296 ( -7.327 7.327 -3.228) 10.854 12.510 ( -12.507 12.507 7.741) 19.307 12.783 ( -12.707 12.707 -5.042) 18.664 12.942 ( -1.286 1.286 9.415) 9.589 13.275 ( 1.842 -1.842 -5.593) 6.170 13.889 ( -34.486 34.486 3.017) 48.863 14.018 ( -35.290 35.290 -2.459) 49.968 15.269 ( -8.608 8.608 1.123) 12.226 15.319 ( -9.055 9.055 -0.966) 12.843 16.274 ( -5.160 5.160 0.896) 7.352 16.317 ( -4.495 4.495 -0.913) 6.422 17.033 ( 9.008 -9.008 0.161) 12.740 17.039 ( 8.803 -8.803 -0.100) 12.450 20.818 ( 9.861 -9.861 0.283) 13.948 20.836 ( 11.045 -11.045 -0.550) 15.630 20.891 ( 11.975 -11.975 0.672) 16.949 20.913 ( 13.473 -13.473 -0.353) 19.056======================= Grid point 110 (49/84) =======================q-point: ( 0.15 -0.15 0.15)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.641 ( 0.000 9.875 -0.000) 9.875 2.380 ( 0.000 2.792 -0.000) 2.792 2.588 ( 0.000 24.396 -0.000) 24.396 3.164 ( 0.000 12.840 -0.000) 12.840 3.340 ( 0.000 10.065 -0.000) 10.065 3.861 ( 0.000 2.016 -0.000) 2.016 3.926 ( 0.000 24.786 -0.000) 24.786 5.404 ( 0.000 5.382 -0.000) 5.382 6.273 ( 0.000 0.683 -0.000) 0.683 6.657 ( 0.000 9.261 -0.000) 9.261 6.900 ( 0.000 7.468 -0.000) 7.468 7.389 ( 0.000 7.439 -0.000) 7.439 7.572 ( 0.000 36.545 -0.000) 36.545 7.735 ( 0.000 6.804 -0.000) 6.804 8.278 ( -0.000 -7.697 0.000) 7.697 8.302 ( 0.000 13.076 -0.000) 13.076 8.497 ( 0.000 9.292 -0.000) 9.292 8.568 ( 0.000 14.009 -0.000) 14.009 9.247 ( -0.000 -4.037 0.000) 4.037 9.488 ( -0.000 -9.904 0.000) 9.904 10.035 ( -0.000 -3.779 0.000) 3.779 10.132 ( -0.000 -11.933 0.000) 11.933 10.466 ( -0.000 -0.106 0.000) 0.106 10.526 ( 0.000 42.844 -0.000) 42.844 10.898 ( -0.000 -3.561 0.000) 3.561 10.898 ( -0.000 -10.315 0.000) 10.315 11.570 ( 0.000 2.391 -0.000) 2.391 12.034 ( -0.000 -29.579 0.000) 29.579 12.308 ( -0.000 -11.216 0.000) 11.216 12.716 ( 0.000 66.065 -0.000) 66.065 13.789 ( 0.000 0.791 -0.000) 0.791 13.826 ( -0.000 -7.318 0.000) 7.318 14.782 ( -0.000 -17.648 0.000) 17.648 15.053 ( 0.000 2.381 -0.000) 2.381 15.724 ( 0.000 34.055 -0.000) 34.055 16.587 ( 0.000 16.815 -0.000) 16.815 17.570 ( -0.000 -2.330 0.000) 2.330 17.760 ( -0.000 -5.249 0.000) 5.249 21.367 ( -0.000 -22.307 0.000) 22.307 21.820 ( -0.000 -29.143 0.000) 29.143 22.015 ( -0.000 -0.148 0.000) 0.148 22.075 ( -0.000 -1.160 0.000) 1.160======================= Grid point 111 (50/84) =======================q-point: ( 0.15 -0.15 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.070 ( 24.791 4.338 0.000) 25.168 2.560 ( 11.532 3.054 0.000) 11.929 3.051 ( 5.110 14.410 -0.000) 15.289 3.437 ( 3.344 10.267 -0.000) 10.798 3.468 ( 1.152 4.406 -0.000) 4.554 3.913 ( 0.256 2.315 -0.000) 2.329 5.065 ( 50.957 25.843 0.000) 57.135 5.700 ( 18.008 5.096 0.000) 18.716 6.640 ( -7.785 -3.078 -0.000) 8.371 6.651 ( 50.636 -20.275 0.000) 54.545 7.067 ( 1.764 7.889 -0.000) 8.084 7.402 ( -12.880 4.729 -0.000) 13.721 7.677 ( -7.788 4.567 -0.000) 9.028 7.878 ( 3.652 -9.008 0.000) 9.720 8.151 ( -27.071 16.048 -0.000) 31.470 8.432 ( -1.647 19.633 -0.000) 19.702 8.782 ( 17.288 4.870 0.000) 17.961 9.067 ( -2.312 -5.805 0.000) 6.249 9.383 ( 6.428 -6.859 0.000) 9.400 9.662 ( 34.285 24.103 0.000) 41.909 9.912 ( -9.919 6.328 -0.000) 11.766 10.194 ( 22.143 -2.221 0.000) 22.254 10.471 ( -0.400 3.578 -0.000) 3.601 10.506 ( -12.418 -2.801 -0.000) 12.730 10.991 ( 6.907 -4.880 0.000) 8.457 11.263 ( 3.835 14.257 -0.000) 14.764 11.419 ( 0.541 -16.078 0.000) 16.087 11.605 ( 17.471 -21.361 0.000) 27.596 12.184 ( 1.941 -3.154 0.000) 3.703 13.429 ( -2.349 3.698 -0.000) 4.381 13.751 ( -3.179 -0.265 -0.000) 3.190 14.142 ( -4.683 27.514 -0.000) 27.910 14.530 ( -8.882 16.654 -0.000) 18.874 15.118 ( 6.938 -1.737 0.000) 7.152 16.456 ( -5.428 39.784 -0.000) 40.153 16.862 ( -4.491 15.332 -0.000) 15.976 17.507 ( -2.083 -2.473 0.000) 3.234 17.589 ( -3.294 -8.185 0.000) 8.823 20.879 ( 0.024 -23.711 0.000) 23.711 21.160 ( -2.551 -30.565 0.000) 30.671 21.979 ( -3.624 -0.039 -0.000) 3.624 22.030 ( -2.416 -1.882 -0.000) 3.062======================= Grid point 112 (51/84) =======================q-point: ( 0.15 -0.15 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.710 ( 29.367 2.067 0.000) 29.440 2.917 ( 17.480 1.532 0.000) 17.547 3.362 ( 6.839 4.522 0.000) 8.199 3.597 ( 5.891 0.804 0.000) 5.946 3.683 ( 4.485 5.076 -0.000) 6.774 3.943 ( 0.477 -0.396 0.000) 0.620 6.198 ( -5.373 6.014 -0.000) 8.064 6.399 ( 22.295 -7.338 0.000) 23.471 6.547 ( 27.778 21.766 0.000) 35.290 6.918 ( 2.818 -15.819 0.000) 16.068 7.080 ( -16.701 -1.492 -0.000) 16.767 7.314 ( 6.461 9.133 -0.000) 11.187 7.718 ( -0.311 4.045 -0.000) 4.057 7.732 ( 8.211 -14.204 0.000) 16.407 8.482 ( 35.951 6.684 0.000) 36.567 8.695 ( 27.644 -4.247 0.000) 27.968 8.875 ( 5.274 -3.435 0.000) 6.294 9.273 ( 22.126 0.745 0.000) 22.138 9.441 ( 6.549 -1.935 0.000) 6.829 10.051 ( -7.143 18.875 -0.000) 20.181 10.258 ( -6.166 3.090 -0.000) 6.897 10.270 ( -9.815 1.917 -0.000) 10.000 10.772 ( 6.983 -2.298 0.000) 7.352 10.897 ( -4.134 -2.693 -0.000) 4.934 10.982 ( 38.986 2.115 0.000) 39.044 11.240 ( 24.970 7.492 0.000) 26.069 11.455 ( 12.673 -2.912 0.000) 13.003 11.717 ( 25.353 -20.113 0.000) 32.362 12.285 ( 3.154 5.223 -0.000) 6.101 13.401 ( -4.049 2.683 -0.000) 4.858 13.677 ( -1.636 -2.148 0.000) 2.700 13.986 ( -13.661 -1.928 -0.000) 13.796 15.096 ( -6.522 25.243 -0.000) 26.072 15.278 ( 11.829 -1.150 0.000) 11.885 16.951 ( -10.579 19.841 -0.000) 22.485 17.043 ( -6.670 13.702 -0.000) 15.239 17.295 ( -6.154 -11.109 0.000) 12.700 17.366 ( -6.219 -2.726 -0.000) 6.790 20.511 ( 1.134 -10.916 0.000) 10.975 20.606 ( -2.056 -15.205 0.000) 15.343 21.861 ( -8.550 0.609 -0.000) 8.572 21.885 ( -8.228 -1.752 -0.000) 8.412======================= Grid point 113 (52/84) =======================q-point: (-0.85 -0.15 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.267 ( 23.243 -1.554 0.000) 23.295 3.280 ( 17.543 -1.681 0.000) 17.623 3.541 ( 8.206 -1.377 0.000) 8.321 3.707 ( 7.596 -4.324 0.000) 8.741 3.801 ( 3.621 -1.438 0.000) 3.896 3.919 ( 1.614 -3.670 0.000) 4.009 5.902 ( -14.487 2.760 -0.000) 14.748 6.488 ( -17.178 -5.497 -0.000) 18.036 6.709 ( -16.407 -1.101 -0.000) 16.444 6.728 ( -20.802 5.823 -0.000) 21.602 7.130 ( 36.874 1.380 0.000) 36.900 7.571 ( 5.375 -0.732 0.000) 5.424 7.646 ( 13.235 -14.497 0.000) 19.630 7.930 ( 8.070 12.255 -0.000) 14.674 8.775 ( 2.869 4.473 -0.000) 5.314 9.471 ( 0.096 -1.385 0.000) 1.388 9.517 ( 22.048 -9.395 0.000) 23.966 9.848 ( 35.830 6.552 0.000) 36.424 9.921 ( 43.819 -5.842 0.000) 44.206 10.064 ( 10.384 -7.303 0.000) 12.695 10.070 ( 11.719 -5.589 0.000) 12.983 10.162 ( 4.613 5.367 -0.000) 7.077 10.576 ( 1.058 -1.620 0.000) 1.935 10.948 ( -6.412 18.048 -0.000) 19.153 11.689 ( 11.322 0.371 0.000) 11.328 11.783 ( 37.786 -3.756 0.000) 37.973 11.865 ( 32.940 -20.439 0.000) 38.766 12.223 ( 22.852 15.372 0.000) 27.541 12.383 ( 9.200 -9.252 0.000) 13.047 13.371 ( -10.330 6.348 -0.000) 12.125 13.582 ( -0.472 -5.626 0.000) 5.646 13.797 ( 0.578 6.199 -0.000) 6.226 14.956 ( -6.758 -26.898 0.000) 27.734 15.554 ( 14.728 1.589 0.000) 14.813 16.692 ( -14.615 -19.236 0.000) 24.159 16.894 ( -7.777 -14.119 0.000) 16.119 17.155 ( -7.532 11.487 -0.000) 13.736 17.223 ( -7.708 4.296 -0.000) 8.825 20.529 ( 0.578 10.094 -0.000) 10.110 20.563 ( -2.163 13.924 -0.000) 14.091 21.628 ( -14.588 -0.589 -0.000) 14.600 21.654 ( -14.583 2.123 -0.000) 14.737======================= Grid point 115 (53/84) =======================q-point: (-0.85 -0.15 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.544 ( 14.722 -5.168 0.000) 15.602 3.561 ( 13.414 -5.844 0.000) 14.632 3.639 ( 7.511 -5.048 0.000) 9.049 3.708 ( 6.708 -9.899 0.000) 11.958 3.815 ( 5.189 -4.416 0.000) 6.814 3.863 ( 2.829 -6.192 0.000) 6.808 5.848 ( -5.368 11.539 -0.000) 12.726 6.087 ( -15.709 -0.390 -0.000) 15.714 6.425 ( -13.155 4.380 -0.000) 13.865 6.425 ( -15.869 6.459 -0.000) 17.134 7.518 ( 10.193 -7.752 0.000) 12.806 7.564 ( 5.762 -8.260 0.000) 10.071 8.038 ( 38.497 -4.029 0.000) 38.708 8.368 ( 12.114 0.395 0.000) 12.120 9.040 ( 5.593 11.219 -0.000) 12.536 9.247 ( -1.864 -15.023 0.000) 15.138 9.291 ( -10.159 -4.089 -0.000) 10.951 9.523 ( -17.729 -8.285 -0.000) 19.569 9.956 ( -2.033 4.277 -0.000) 4.736 9.999 ( -8.251 5.647 -0.000) 9.998 10.730 ( 9.579 4.553 0.000) 10.606 10.921 ( -1.815 1.098 -0.000) 2.121 11.104 ( 51.020 -5.986 0.000) 51.370 11.598 ( 29.745 -9.539 0.000) 31.238 11.906 ( 14.892 6.763 0.000) 16.356 12.211 ( 18.785 -15.493 0.000) 24.349 12.324 ( 31.737 -8.563 0.000) 32.872 12.414 ( 43.465 -13.399 0.000) 45.484 12.503 ( 1.437 -5.555 0.000) 5.738 13.240 ( -11.295 6.683 -0.000) 13.124 13.423 ( -1.563 -6.880 0.000) 7.055 13.863 ( -3.263 -63.533 0.000) 63.616 14.516 ( 35.193 19.784 0.000) 40.373 15.681 ( -15.887 -33.542 0.000) 37.114 15.983 ( 14.406 -0.600 0.000) 14.418 16.425 ( -7.174 -16.368 0.000) 17.871 17.205 ( -7.989 9.084 -0.000) 12.097 17.207 ( -7.575 8.041 -0.000) 11.047 20.859 ( -0.812 20.107 -0.000) 20.123 20.930 ( -3.614 23.853 -0.000) 24.126 21.280 ( -19.674 1.462 -0.000) 19.728 21.351 ( -21.166 3.880 -0.000) 21.519======================= Grid point 127 (54/84) =======================q-point: (-0.33 -0.17 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.081 ( 0.000 -16.438 -8.144) 18.344 1.653 ( 0.000 -25.674 -22.848) 34.368 2.070 ( -0.000 -9.349 14.204) 17.004 2.347 ( -0.000 -26.931 3.551) 27.165 2.702 ( 0.000 -23.735 -10.703) 26.036 3.359 ( 0.000 -8.272 -16.586) 18.534 3.599 ( -0.000 -3.342 22.521) 22.768 5.002 ( -0.000 -9.042 15.809) 18.212 5.235 ( -0.000 -64.293 3.854) 64.408 5.696 ( 0.000 -19.032 -8.042) 20.661 5.774 ( -0.000 -36.217 9.779) 37.514 6.442 ( -0.000 -39.881 -2.871) 39.984 6.917 ( 0.000 -4.220 -25.393) 25.741 7.635 ( -0.000 5.344 3.443) 6.357 7.964 ( 0.000 -5.606 -3.389) 6.551 8.134 ( 0.000 -9.359 -1.539) 9.485 8.548 ( -0.000 7.313 2.928) 7.877 8.597 ( 0.000 4.757 -0.663) 4.803 9.005 ( -0.000 -12.959 -0.786) 12.983 9.437 ( 0.000 -5.362 -7.172) 8.955 9.697 ( 0.000 -35.623 -5.989) 36.123 9.870 ( 0.000 7.577 0.072) 7.577 10.423 ( 0.000 8.755 -1.840) 8.946 10.560 ( 0.000 8.029 -0.008) 8.029 10.653 ( -0.000 5.253 6.465) 8.330 11.050 ( 0.000 3.145 -0.430) 3.174 11.307 ( -0.000 0.373 6.816) 6.826 11.834 ( 0.000 7.414 -17.239) 18.765 12.670 ( -0.000 9.747 16.672) 19.312 12.973 ( 0.000 16.006 -0.055) 16.006 13.484 ( -0.000 -8.326 8.620) 11.984 14.225 ( -0.000 -21.547 1.399) 21.593 14.892 ( 0.000 24.843 -32.006) 40.516 15.320 ( 0.000 2.176 -1.409) 2.592 15.774 ( -0.000 4.840 7.409) 8.850 15.949 ( 0.000 12.495 -0.250) 12.498 17.669 ( 0.000 2.063 -0.185) 2.071 17.843 ( -0.000 -1.154 0.057) 1.155 21.980 ( 0.000 6.532 -1.624) 6.731 22.024 ( -0.000 0.272 0.105) 0.292 22.120 ( 0.000 0.893 -0.111) 0.899 22.583 ( -0.000 7.047 7.858) 10.555======================= Grid point 128 (55/84) =======================q-point: (-0.33 -0.17 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.258 ( 18.992 -18.992 -17.847) 32.247 1.275 ( 22.588 -22.588 -8.228) 32.987 1.854 ( 18.377 -18.377 -17.836) 31.521 2.181 ( 10.869 -10.869 10.941) 18.868 2.312 ( 17.811 -17.811 -3.983) 25.501 3.462 ( 4.926 -4.926 11.156) 13.152 3.789 ( 27.788 -27.788 -14.612) 41.927 4.103 ( 27.766 -27.766 16.502) 42.594 5.149 ( 16.636 -16.636 15.807) 28.344 5.170 ( 17.449 -17.449 17.610) 30.316 5.732 ( 20.900 -20.900 -7.884) 30.590 5.775 ( 22.530 -22.530 -5.749) 32.377 6.874 ( 0.955 -0.955 -29.234) 29.265 7.684 ( -7.062 7.062 0.708) 10.012 7.967 ( 0.426 -0.426 -0.286) 0.666 8.006 ( 7.250 -7.250 0.212) 10.255 8.668 ( 0.654 -0.654 -9.083) 9.130 8.834 ( 4.354 -4.354 0.821) 6.211 8.877 ( -0.827 0.827 1.021) 1.553 8.913 ( 8.544 -8.544 2.621) 12.364 9.603 ( -6.833 6.833 -18.100) 20.518 9.985 ( -2.192 2.192 3.381) 4.587 10.518 ( -7.419 7.419 -4.635) 11.470 10.646 ( -4.814 4.814 0.684) 6.842 10.755 ( 0.577 -0.577 -1.222) 1.470 10.894 ( -6.744 6.744 5.078) 10.805 11.503 ( 3.875 -3.875 -12.220) 13.392 12.159 ( 6.345 -6.345 15.171) 17.626 12.766 ( -8.924 8.924 10.326) 16.306 12.829 ( -10.375 10.375 3.463) 15.075 13.664 ( 8.270 -8.270 -1.597) 11.804 13.785 ( 9.275 -9.275 6.861) 14.803 15.294 ( -28.149 28.149 -49.339) 63.396 15.422 ( 3.931 -3.931 -1.077) 5.663 15.484 ( 4.146 -4.146 1.491) 6.051 16.267 ( -25.362 25.362 8.796) 36.930 17.729 ( -0.088 0.088 -1.566) 1.571 17.784 ( 1.028 -1.028 0.825) 1.671 21.993 ( -2.154 2.154 -0.598) 3.104 22.036 ( -0.730 0.730 1.648) 1.944 22.198 ( 1.646 -1.646 -5.104) 5.610 22.596 ( 2.797 -2.797 16.629) 17.093======================= Grid point 134 (56/84) =======================q-point: ( 0.67 -0.17 -0.29)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 338Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.820 ( -1.236 6.386 0.676) 6.539 3.850 ( -2.568 7.104 0.534) 7.572 3.851 ( -1.962 7.081 -0.194) 7.350 3.913 ( -2.685 3.341 1.144) 4.436 3.967 ( -1.888 2.874 -0.825) 3.536 4.006 ( -0.561 1.007 -1.233) 1.688 5.590 ( 4.062 -0.016 1.072) 4.202 5.861 ( -2.741 -11.188 -2.424) 11.771 5.974 ( 6.598 -11.057 1.882) 13.013 6.088 ( 2.641 -12.434 -0.376) 12.717 7.893 ( -7.286 13.143 0.354) 15.032 7.996 ( -12.119 10.801 -2.296) 16.395 8.290 ( 10.413 13.190 7.269) 18.310 8.873 ( 1.223 13.898 -4.646) 14.705 8.985 ( 6.153 8.208 -0.818) 10.290 9.225 ( -2.624 0.490 -0.368) 2.694 9.305 ( -0.511 -10.022 -1.014) 10.086 9.529 ( -0.358 -11.907 6.465) 13.554 9.728 ( -5.883 -8.902 -2.225) 10.900 9.800 ( -6.289 -4.571 -11.756) 14.095 10.409 ( 5.245 -4.872 14.792) 16.433 10.902 ( 8.467 -2.871 -6.166) 10.861 11.919 ( -2.941 10.407 3.670) 11.420 12.096 ( 2.974 13.104 -3.117) 13.794 12.305 ( -2.899 23.526 -0.946) 23.723 12.515 ( -6.951 2.858 -2.892) 8.053 12.776 ( -9.971 5.893 3.742) 12.172 12.900 ( 2.050 8.059 4.154) 9.296 13.014 ( -7.667 15.550 -1.240) 17.382 13.162 ( 7.045 10.072 -3.006) 12.653 14.348 ( -23.495 43.802 0.565) 49.709 14.814 ( 11.782 31.217 -1.625) 33.406 14.914 ( -15.427 16.840 1.248) 22.873 15.940 ( -21.352 -16.518 0.041) 26.996 16.196 ( 5.080 10.534 -0.012) 11.695 16.584 ( -13.083 -7.200 -0.104) 14.934 16.829 ( 11.018 -8.283 0.117) 13.785 16.875 ( 5.898 -9.305 -0.034) 11.016 20.498 ( 11.348 -0.740 0.003) 11.372 20.521 ( 9.451 -0.819 0.001) 9.487 20.841 ( 0.231 -20.813 0.019) 20.815 20.848 ( 1.035 -21.747 -0.003) 21.772======================= Grid point 140 (57/84) =======================q-point: ( 0.19 -0.19 0.19)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( 0.000 4.293 -0.000) 4.293 2.434 ( 0.000 2.520 -0.000) 2.520 2.998 ( 0.000 15.500 -0.000) 15.500 3.402 ( 0.000 10.415 -0.000) 10.415 3.464 ( 0.000 2.730 -0.000) 2.730 3.912 ( 0.000 2.669 -0.000) 2.669 4.469 ( 0.000 28.204 -0.000) 28.204 5.507 ( 0.000 4.492 -0.000) 4.492 6.078 ( -0.000 -17.939 0.000) 17.939 6.732 ( -0.000 -0.105 0.000) 0.105 7.050 ( 0.000 7.480 -0.000) 7.480 7.513 ( 0.000 5.916 -0.000) 5.916 7.837 ( 0.000 2.443 -0.000) 2.443 7.841 ( -0.000 -8.571 0.000) 8.571 8.469 ( 0.000 22.840 -0.000) 22.840 8.525 ( 0.000 8.974 -0.000) 8.974 8.671 ( 0.000 7.501 -0.000) 7.501 9.079 ( 0.000 33.559 -0.000) 33.559 9.160 ( -0.000 -4.118 0.000) 4.118 9.306 ( -0.000 -7.561 0.000) 7.561 9.898 ( -0.000 -10.536 0.000) 10.536 10.038 ( 0.000 7.041 -0.000) 7.041 10.505 ( 0.000 4.254 -0.000) 4.254 10.707 ( -0.000 -7.273 0.000) 7.273 10.833 ( -0.000 -2.787 0.000) 2.787 11.247 ( 0.000 22.158 -0.000) 22.158 11.379 ( -0.000 -34.519 0.000) 34.519 11.416 ( -0.000 -16.313 0.000) 16.313 12.172 ( -0.000 -0.555 0.000) 0.555 13.453 ( 0.000 3.766 -0.000) 3.766 13.790 ( -0.000 -0.736 0.000) 0.736 14.190 ( 0.000 30.002 -0.000) 30.002 14.623 ( 0.000 12.835 -0.000) 12.835 15.046 ( -0.000 -1.450 0.000) 1.450 16.512 ( 0.000 39.777 -0.000) 39.777 16.910 ( 0.000 14.925 -0.000) 14.925 17.528 ( -0.000 -1.646 0.000) 1.646 17.623 ( -0.000 -8.117 0.000) 8.117 20.878 ( -0.000 -24.238 0.000) 24.238 21.187 ( -0.000 -31.485 0.000) 31.485 22.014 ( 0.000 0.114 -0.000) 0.114 22.052 ( -0.000 -1.037 0.000) 1.037======================= Grid point 141 (58/84) =======================q-point: ( 0.19 -0.19 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.122 ( 25.647 0.831 0.000) 25.660 2.609 ( 11.787 1.818 0.000) 11.926 3.250 ( 3.905 5.084 -0.000) 6.411 3.501 ( 3.185 -0.843 0.000) 3.294 3.605 ( 2.850 5.942 -0.000) 6.590 3.943 ( -0.425 0.279 -0.000) 0.509 5.611 ( 48.560 26.476 0.000) 55.308 5.781 ( 19.514 3.335 0.000) 19.797 6.161 ( 47.384 -26.425 0.000) 54.254 6.571 ( -12.143 -2.512 -0.000) 12.400 7.235 ( 2.090 8.552 -0.000) 8.803 7.485 ( -16.632 3.030 -0.000) 16.906 7.631 ( 2.797 -12.982 0.000) 13.280 7.749 ( -3.931 2.840 -0.000) 4.850 8.444 ( -19.331 11.147 -0.000) 22.314 8.628 ( -10.249 -0.906 -0.000) 10.289 8.865 ( 12.303 3.597 0.000) 12.818 8.949 ( -4.787 -4.725 -0.000) 6.726 9.285 ( 7.477 -2.587 0.000) 7.912 10.132 ( 22.162 9.103 0.000) 23.958 10.201 ( 32.069 12.517 0.000) 34.425 10.202 ( -8.337 16.495 -0.000) 18.483 10.457 ( -8.192 -1.176 -0.000) 8.276 10.637 ( 2.606 13.633 -0.000) 13.880 10.887 ( 4.164 -2.290 0.000) 4.752 10.984 ( 3.128 -23.613 0.000) 23.819 11.011 ( 26.578 -25.327 0.000) 36.713 11.463 ( 2.870 -0.810 0.000) 2.982 12.252 ( 0.567 4.142 -0.000) 4.181 13.463 ( -2.117 2.008 -0.000) 2.918 13.732 ( -2.775 -1.407 -0.000) 3.112 14.214 ( -7.982 -1.726 -0.000) 8.167 15.088 ( 6.521 -0.846 0.000) 6.576 15.205 ( -3.888 23.607 -0.000) 23.925 17.113 ( -5.152 19.250 -0.000) 19.927 17.158 ( -4.389 14.173 -0.000) 14.837 17.396 ( -3.514 -10.778 0.000) 11.336 17.468 ( -3.605 -1.216 -0.000) 3.805 20.489 ( 0.923 -11.696 0.000) 11.733 20.641 ( -1.265 -16.293 0.000) 16.342 21.983 ( -3.715 0.509 -0.000) 3.750 22.000 ( -3.385 -1.107 -0.000) 3.561======================= Grid point 142 (59/84) =======================q-point: (-0.81 -0.19 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.716 ( 30.192 -1.557 0.000) 30.232 2.923 ( 16.843 -0.962 0.000) 16.871 3.381 ( 7.151 -2.470 0.000) 7.566 3.556 ( 6.940 -4.782 0.000) 8.428 3.727 ( 3.485 -0.805 0.000) 3.576 3.901 ( 0.143 -3.793 0.000) 3.796 6.188 ( -3.587 -6.278 0.000) 7.231 6.405 ( 21.154 7.430 0.000) 22.421 6.528 ( 25.368 -20.498 0.000) 32.614 6.985 ( 10.122 20.117 -0.000) 22.520 7.069 ( -20.894 -0.602 -0.000) 20.903 7.459 ( 5.942 -11.919 0.000) 13.318 7.460 ( 4.723 3.783 0.000) 6.051 7.822 ( 2.306 6.845 -0.000) 7.223 8.536 ( 43.077 -9.293 0.000) 44.068 8.585 ( 18.317 2.659 0.000) 18.509 8.886 ( 7.282 3.628 0.000) 8.136 9.292 ( 21.775 1.222 0.000) 21.809 9.430 ( 5.873 0.852 0.000) 5.934 10.120 ( -4.177 -20.140 0.000) 20.568 10.230 ( -4.841 -3.330 -0.000) 5.876 10.309 ( -9.801 3.000 -0.000) 10.250 10.625 ( -1.846 2.413 -0.000) 3.039 11.001 ( 36.298 0.258 0.000) 36.299 11.007 ( 8.087 -1.797 0.000) 8.284 11.224 ( 21.180 -2.739 0.000) 21.356 11.510 ( 7.338 -1.935 0.000) 7.589 11.673 ( 29.693 24.997 0.000) 38.814 12.250 ( 4.015 -9.662 0.000) 10.463 13.466 ( -2.166 3.471 -0.000) 4.091 13.636 ( -3.852 -1.342 -0.000) 4.079 13.984 ( -13.160 1.452 -0.000) 13.240 15.096 ( -6.548 -25.170 0.000) 26.008 15.279 ( 11.826 1.239 0.000) 11.890 16.951 ( -10.654 -19.885 0.000) 22.559 17.042 ( -6.598 -13.734 0.000) 15.236 17.295 ( -6.129 11.164 -0.000) 12.736 17.366 ( -6.232 2.729 -0.000) 6.803 20.511 ( 1.116 10.923 -0.000) 10.980 20.607 ( -2.044 15.267 -0.000) 15.403 21.862 ( -8.547 -0.601 -0.000) 8.568 21.885 ( -8.228 1.745 -0.000) 8.411======================= Grid point 144 (60/84) =======================q-point: (-0.81 -0.19 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.196 ( 22.658 -5.189 0.000) 23.245 3.215 ( 17.003 -4.724 0.000) 17.647 3.464 ( 9.542 -6.020 0.000) 11.282 3.555 ( 7.915 -10.458 0.000) 13.116 3.722 ( 3.898 -6.088 0.000) 7.229 3.813 ( 1.901 -6.776 0.000) 7.037 5.998 ( -8.546 5.892 -0.000) 10.380 6.363 ( -7.778 -6.726 -0.000) 10.283 6.707 ( -14.628 1.175 -0.000) 14.675 6.815 ( -21.067 2.881 -0.000) 21.263 7.164 ( 32.774 1.610 0.000) 32.813 7.408 ( 11.811 -8.377 0.000) 14.481 7.485 ( 2.392 -6.106 0.000) 6.558 8.138 ( 10.170 3.408 0.000) 10.726 8.928 ( 7.506 7.584 -0.000) 10.671 9.202 ( 12.108 -15.751 0.000) 19.867 9.447 ( -4.153 -1.029 -0.000) 4.278 9.797 ( 19.982 -4.330 0.000) 20.446 9.872 ( -15.233 -7.900 -0.000) 17.159 9.951 ( 38.137 -1.738 0.000) 38.176 9.995 ( 45.748 4.210 0.000) 45.942 10.294 ( 29.400 5.083 0.000) 29.836 10.725 ( -1.862 11.253 -0.000) 11.406 11.065 ( 12.003 -12.657 0.000) 17.443 11.550 ( 18.595 -13.038 0.000) 22.710 11.648 ( 32.438 -8.670 0.000) 33.577 11.714 ( 9.052 3.484 0.000) 9.699 12.098 ( 10.628 -12.215 0.000) 16.192 12.433 ( 8.047 4.708 0.000) 9.323 13.512 ( -10.367 3.093 -0.000) 10.818 13.524 ( -6.480 1.160 -0.000) 6.583 13.955 ( 13.596 -1.039 0.000) 13.635 14.030 ( -9.251 -45.378 0.000) 46.312 15.614 ( 15.165 4.225 0.000) 15.742 16.046 ( -13.658 -39.824 0.000) 42.101 16.581 ( -7.957 -16.566 0.000) 18.377 17.344 ( -5.891 6.584 -0.000) 8.835 17.361 ( -7.262 8.764 -0.000) 11.382 20.872 ( -0.477 21.093 -0.000) 21.098 21.009 ( -4.145 26.232 -0.000) 26.557 21.631 ( -14.369 0.923 -0.000) 14.399 21.716 ( -14.363 3.999 -0.000) 14.910======================= Grid point 146 (61/84) =======================q-point: ( 0.19 0.81 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.387 ( 11.549 -11.846 0.000) 16.544 3.387 ( 11.846 -11.549 0.000) 16.544 3.493 ( 9.316 -9.406 0.000) 13.239 3.493 ( 9.406 -9.316 0.000) 13.239 3.716 ( 5.898 -6.436 0.000) 8.730 3.716 ( 6.436 -5.898 0.000) 8.730 6.095 ( -10.503 1.564 0.000) 10.619 6.095 ( -1.564 10.503 0.000) 10.619 6.573 ( -10.551 8.329 -0.000) 13.442 6.573 ( -8.329 10.551 -0.000) 13.442 7.400 ( 5.158 -5.943 0.000) 7.869 7.400 ( 5.943 -5.158 0.000) 7.869 7.955 ( 8.415 -30.728 0.000) 31.859 7.955 ( 30.728 -8.415 0.000) 31.859 9.210 ( -10.411 -4.412 -0.000) 11.308 9.210 ( 4.412 10.411 -0.000) 11.308 9.368 ( -14.941 -5.699 0.000) 15.991 9.368 ( 5.699 14.941 0.000) 15.991 10.025 ( -1.824 -5.569 0.000) 5.861 10.025 ( 5.569 1.824 0.000) 5.861 10.769 ( 2.427 -26.677 0.000) 26.787 10.769 ( 26.677 -2.427 0.000) 26.787 11.034 ( 6.575 -20.216 0.000) 21.259 11.034 ( 20.216 -6.575 0.000) 21.259 11.879 ( 16.604 -18.572 0.000) 24.912 11.879 ( 18.572 -16.604 0.000) 24.912 12.263 ( -0.868 -60.758 0.000) 60.764 12.263 ( 60.758 0.868 0.000) 60.764 12.360 ( -10.152 -27.125 0.000) 28.963 12.360 ( 27.125 10.152 0.000) 28.963 13.472 ( -10.512 10.250 0.000) 14.682 13.472 ( -10.250 10.512 0.000) 14.682 14.897 ( -17.362 -38.238 0.000) 41.995 14.897 ( 38.238 17.362 0.000) 41.995 16.075 ( -6.403 -17.632 0.000) 18.759 16.075 ( 17.632 6.403 0.000) 18.759 17.365 ( -7.419 6.663 -0.000) 9.972 17.365 ( -6.663 7.419 -0.000) 9.972 21.258 ( -16.703 3.958 -0.000) 17.165 21.258 ( -3.958 16.703 -0.000) 17.165 21.463 ( -19.089 8.470 -0.000) 20.883 21.463 ( -8.470 19.089 -0.000) 20.883======================= Grid point 158 (62/84) =======================q-point: (-0.29 -0.21 0.21)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.748 ( 0.000 -14.880 -19.314) 24.381 1.130 ( 0.000 -27.992 -23.038) 36.254 1.687 ( 0.000 -33.378 -33.251) 47.114 1.908 ( -0.000 -5.957 21.793) 22.592 2.197 ( -0.000 -25.773 5.916) 26.443 3.239 ( 0.000 -3.747 -21.505) 21.829 3.503 ( -0.000 -10.352 12.987) 16.608 3.968 ( -0.000 -46.106 16.405) 48.938 4.812 ( -0.000 -8.450 19.020) 20.813 5.098 ( -0.000 -30.835 18.526) 35.972 5.414 ( 0.000 -8.393 -9.039) 12.335 5.647 ( 0.000 -30.519 -6.639) 31.233 6.867 ( 0.000 -1.127 -31.332) 31.352 7.799 ( -0.000 8.410 2.651) 8.818 7.877 ( 0.000 -2.943 -3.278) 4.405 8.006 ( -0.000 -0.815 4.016) 4.098 8.664 ( 0.000 3.450 -11.023) 11.550 8.681 ( -0.000 4.986 2.505) 5.580 8.904 ( -0.000 -5.116 1.809) 5.426 8.942 ( -0.000 -14.177 1.393) 14.245 9.722 ( 0.000 15.740 -20.136) 25.558 9.991 ( 0.000 4.105 0.071) 4.106 10.616 ( 0.000 11.833 -7.300) 13.903 10.686 ( 0.000 4.274 0.008) 4.274 10.737 ( 0.000 2.697 -0.448) 2.734 11.101 ( 0.000 1.784 -0.485) 1.849 11.332 ( -0.000 2.178 1.781) 2.813 11.958 ( -0.000 -3.132 6.126) 6.880 12.848 ( -0.000 10.237 12.268) 15.978 13.220 ( 0.000 8.156 -0.072) 8.156 13.301 ( -0.000 -7.807 4.322) 8.923 13.776 ( -0.000 -23.053 4.056) 23.407 15.323 ( 0.000 3.860 -1.643) 4.195 15.467 ( 0.000 -2.538 -6.131) 6.635 15.728 ( 0.000 40.557 -43.010) 59.116 16.569 ( -0.000 29.235 4.917) 29.646 17.702 ( 0.000 1.163 -0.201) 1.181 17.788 ( 0.000 -4.054 -0.464) 4.080 22.029 ( -0.000 0.168 0.133) 0.215 22.041 ( 0.000 0.246 -1.086) 1.114 22.134 ( 0.000 0.492 -0.138) 0.511 22.538 ( -0.000 -13.988 18.402) 23.115======================= Grid point 165 (63/84) =======================q-point: ( 0.71 -0.21 -0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 182Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.926 ( -3.103 3.103 0.636) 4.434 3.929 ( -2.414 2.414 1.174) 3.610 3.946 ( -2.294 2.294 -0.140) 3.247 3.969 ( -1.841 1.841 0.540) 2.659 3.997 ( 0.365 -0.365 -1.426) 1.516 4.006 ( 0.606 -0.606 -0.818) 1.184 5.640 ( -2.954 2.954 1.725) 4.519 5.724 ( 0.900 -0.900 -1.812) 2.214 5.816 ( 5.467 -5.467 1.311) 7.841 5.875 ( 7.439 -7.439 -1.109) 10.578 8.165 ( -8.285 8.285 -0.147) 11.717 8.198 ( -12.010 12.010 -2.613) 17.185 8.459 ( 0.304 -0.304 8.200) 8.212 8.739 ( 8.534 -8.534 -4.639) 12.930 9.083 ( 0.002 -0.002 1.151) 1.151 9.148 ( 1.691 -1.691 -3.063) 3.886 9.347 ( 3.075 -3.075 5.071) 6.680 9.511 ( 9.405 -9.405 -3.036) 13.642 9.589 ( -11.082 11.082 2.027) 15.803 9.806 ( -6.279 6.279 -10.044) 13.407 10.364 ( -0.847 0.847 12.457) 12.514 10.726 ( 11.486 -11.486 -5.469) 17.139 12.020 ( -2.171 2.171 2.044) 3.688 12.112 ( 2.792 -2.792 -1.675) 4.290 12.624 ( -7.697 7.697 -0.312) 10.889 12.682 ( -6.477 6.477 -3.168) 9.693 12.882 ( -4.384 4.384 4.425) 7.617 12.977 ( 0.032 -0.032 0.332) 0.336 13.229 ( -5.989 5.989 0.050) 8.469 13.280 ( -1.675 1.675 -1.627) 2.874 15.060 ( -20.551 20.551 2.448) 29.167 15.198 ( -19.736 19.736 -3.705) 28.155 15.496 ( -1.023 1.023 2.906) 3.246 15.593 ( -2.120 2.120 -1.530) 3.366 16.429 ( -3.131 3.131 0.529) 4.459 16.458 ( -3.117 3.117 -0.698) 4.463 16.664 ( 8.354 -8.354 0.479) 11.824 16.683 ( 7.918 -7.918 -0.324) 11.203 20.490 ( 4.727 -4.727 0.025) 6.685 20.494 ( 5.089 -5.089 -0.198) 7.200 20.503 ( 5.401 -5.401 0.227) 7.642 20.509 ( 5.775 -5.775 -0.046) 8.167======================= Grid point 171 (64/84) =======================q-point: ( 0.23 -0.23 0.23)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 0.000 0.087 -0.000) 0.087 2.481 ( 0.000 2.110 -0.000) 2.110 3.209 ( 0.000 5.321 -0.000) 5.321 3.470 ( -0.000 -1.761 0.000) 1.761 3.576 ( 0.000 6.333 -0.000) 6.333 3.950 ( 0.000 0.614 -0.000) 0.614 5.049 ( 0.000 28.002 -0.000) 28.002 5.577 ( 0.000 2.485 -0.000) 2.485 5.616 ( -0.000 -26.152 0.000) 26.152 6.705 ( -0.000 -1.656 0.000) 1.656 7.213 ( 0.000 8.587 -0.000) 8.587 7.604 ( -0.000 -12.378 0.000) 12.378 7.642 ( 0.000 6.495 -0.000) 6.495 7.835 ( -0.000 -1.977 0.000) 1.977 8.664 ( 0.000 3.993 -0.000) 3.993 8.777 ( 0.000 6.274 -0.000) 6.274 8.786 ( 0.000 3.175 -0.000) 3.175 9.097 ( -0.000 -1.768 0.000) 1.768 9.197 ( -0.000 -2.870 0.000) 2.870 9.724 ( -0.000 -1.915 0.000) 1.915 9.842 ( 0.000 36.179 -0.000) 36.179 10.364 ( 0.000 22.727 -0.000) 22.727 10.580 ( -0.000 -4.745 0.000) 4.745 10.612 ( -0.000 -35.691 0.000) 35.691 10.634 ( 0.000 7.581 -0.000) 7.581 10.817 ( -0.000 -3.499 0.000) 3.499 10.964 ( -0.000 -25.637 0.000) 25.637 11.445 ( 0.000 1.533 -0.000) 1.533 12.248 ( 0.000 3.742 -0.000) 3.742 13.485 ( 0.000 1.880 -0.000) 1.880 13.763 ( -0.000 -1.619 0.000) 1.619 14.296 ( -0.000 -1.492 0.000) 1.492 15.021 ( -0.000 -0.744 0.000) 0.744 15.245 ( 0.000 22.895 -0.000) 22.895 17.164 ( 0.000 17.885 -0.000) 17.885 17.206 ( 0.000 15.440 -0.000) 15.440 17.432 ( -0.000 -10.647 0.000) 10.647 17.505 ( -0.000 -0.575 0.000) 0.575 20.479 ( -0.000 -12.028 0.000) 12.028 20.654 ( -0.000 -16.722 0.000) 16.722 22.020 ( 0.000 0.452 -0.000) 0.452 22.033 ( -0.000 -0.782 0.000) 0.782======================= Grid point 172 (65/84) =======================q-point: (-0.77 -0.23 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.106 ( 26.817 -2.350 0.000) 26.920 2.631 ( 10.897 0.274 0.000) 10.901 3.264 ( 4.059 -3.458 0.000) 5.332 3.441 ( 4.034 -5.096 0.000) 6.499 3.668 ( 1.993 0.204 0.000) 2.003 3.909 ( -0.725 -3.814 0.000) 3.882 5.613 ( 48.270 -26.829 0.000) 55.225 5.748 ( 22.343 -3.341 0.000) 22.592 6.195 ( 45.040 27.062 0.000) 52.544 6.569 ( -11.195 2.459 -0.000) 11.462 7.384 ( 2.000 -10.920 0.000) 11.102 7.388 ( -0.240 4.856 -0.000) 4.862 7.517 ( -17.033 0.660 -0.000) 17.046 7.814 ( -0.869 4.143 -0.000) 4.233 8.475 ( -20.180 -12.484 -0.000) 23.729 8.556 ( -9.547 -0.952 -0.000) 9.594 8.879 ( 9.574 -2.170 0.000) 9.817 8.955 ( -2.066 4.678 -0.000) 5.114 9.283 ( 7.237 2.412 0.000) 7.629 10.137 ( 17.100 -20.714 0.000) 26.861 10.155 ( 26.934 -0.273 0.000) 26.935 10.248 ( -0.736 -17.102 0.000) 17.118 10.445 ( -1.161 -6.937 0.000) 7.034 10.712 ( 1.855 -1.493 0.000) 2.381 10.766 ( -0.161 9.678 -0.000) 9.679 11.036 ( 8.102 16.950 -0.000) 18.787 11.088 ( 24.874 27.643 -0.000) 37.187 11.449 ( -0.254 0.422 -0.000) 0.493 12.205 ( 0.909 -9.467 0.000) 9.511 13.507 ( -1.723 1.790 -0.000) 2.485 13.710 ( -2.904 -0.146 -0.000) 2.907 14.211 ( -8.143 1.326 -0.000) 8.251 15.089 ( 6.518 0.940 0.000) 6.586 15.206 ( -3.894 -23.496 0.000) 23.817 17.118 ( -5.652 -20.258 0.000) 21.032 17.151 ( -3.868 -13.206 0.000) 13.760 17.395 ( -3.514 10.748 -0.000) 11.308 17.468 ( -3.619 1.253 -0.000) 3.830 20.489 ( 0.903 11.752 -0.000) 11.786 20.641 ( -1.247 16.307 -0.000) 16.354 21.984 ( -3.708 -0.512 -0.000) 3.743 22.000 ( -3.393 1.112 -0.000) 3.571======================= Grid point 174 (66/84) =======================q-point: (-0.77 -0.23 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.650 ( 30.311 -4.737 0.000) 30.679 2.878 ( 15.498 -3.486 0.000) 15.885 3.270 ( 9.022 -8.208 0.000) 12.197 3.401 ( 6.877 -10.477 0.000) 12.532 3.655 ( 2.693 -6.089 0.000) 6.658 3.790 ( 0.391 -7.011 0.000) 7.022 6.055 ( 11.393 -6.516 0.000) 13.125 6.120 ( 37.235 -19.097 0.000) 41.847 6.573 ( 10.507 7.942 0.000) 13.171 7.049 ( -18.997 -1.343 -0.000) 19.044 7.227 ( -1.319 -3.940 0.000) 4.155 7.346 ( -12.077 6.683 -0.000) 13.803 7.458 ( -0.082 -2.820 0.000) 2.821 7.972 ( 5.786 4.182 0.000) 7.139 8.390 ( 72.951 -3.118 0.000) 73.018 8.510 ( 20.448 -11.433 0.000) 23.427 8.988 ( 2.725 6.601 -0.000) 7.141 9.307 ( 22.794 -0.687 0.000) 22.804 9.470 ( 2.830 2.827 0.000) 4.000 9.760 ( -4.590 -8.245 0.000) 9.437 10.081 ( 1.004 -10.667 0.000) 10.714 10.262 ( -0.127 -9.785 0.000) 9.786 10.703 ( 13.695 -11.056 0.000) 17.601 10.726 ( 12.285 2.653 0.000) 12.568 11.053 ( 15.876 7.122 0.000) 17.400 11.407 ( 2.388 -11.260 0.000) 11.510 11.537 ( 8.130 14.114 -0.000) 16.288 11.969 ( 2.074 -11.707 0.000) 11.889 12.136 ( 20.558 19.280 0.000) 28.184 13.522 ( 3.209 -0.413 0.000) 3.236 13.659 ( -6.276 4.779 -0.000) 7.889 13.963 ( -8.510 -18.075 0.000) 19.978 14.293 ( -13.728 -32.394 0.000) 35.183 15.323 ( 12.659 2.781 0.000) 12.961 16.294 ( -10.273 -39.841 0.000) 41.144 16.738 ( -7.210 -16.139 0.000) 17.676 17.446 ( -4.076 4.490 -0.000) 6.064 17.495 ( -5.802 8.433 -0.000) 10.236 20.878 ( -0.206 22.476 -0.000) 22.477 21.093 ( -3.871 28.475 -0.000) 28.737 21.861 ( -8.368 0.519 -0.000) 8.384 21.934 ( -7.322 3.184 -0.000) 7.984======================= Grid point 176 (67/84) =======================q-point: (-0.77 -0.23 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 3.061 ( 21.424 -8.186 0.000) 22.935 3.084 ( 15.885 -8.377 0.000) 17.959 3.298 ( 10.720 -10.523 0.000) 15.022 3.303 ( 8.976 -13.502 0.000) 16.214 3.573 ( 5.650 -7.667 0.000) 9.524 3.647 ( 2.264 -9.404 0.000) 9.673 6.099 ( 1.542 2.720 -0.000) 3.127 6.216 ( 3.032 -7.675 0.000) 8.252 6.766 ( -10.853 4.808 -0.000) 11.870 6.855 ( -16.236 1.552 -0.000) 16.310 7.176 ( 29.367 -1.078 0.000) 29.387 7.311 ( 9.296 -1.516 0.000) 9.419 7.362 ( 0.288 -5.537 0.000) 5.544 7.843 ( 7.053 -31.009 0.000) 31.801 8.987 ( 23.779 6.506 0.000) 24.653 9.248 ( 5.496 11.661 -0.000) 12.891 9.416 ( -7.796 -2.966 -0.000) 8.341 9.704 ( -15.724 -8.670 -0.000) 17.956 9.729 ( 21.565 -3.621 0.000) 21.867 9.955 ( 28.648 1.300 0.000) 28.677 9.997 ( 9.222 -9.017 0.000) 12.898 10.308 ( 79.810 -4.811 0.000) 79.955 10.649 ( 11.856 -26.042 0.000) 28.614 10.914 ( 1.249 4.994 -0.000) 5.147 11.081 ( 9.294 -19.787 0.000) 21.861 11.459 ( 20.401 -12.246 0.000) 23.794 11.803 ( 0.002 1.935 -0.000) 1.935 12.082 ( 13.550 7.103 0.000) 15.299 12.322 ( -3.308 -35.726 0.000) 35.879 12.588 ( -10.224 -40.861 0.000) 42.120 13.675 ( -10.225 14.024 -0.000) 17.356 13.807 ( -17.234 10.968 -0.000) 20.428 14.214 ( 25.796 13.080 0.000) 28.923 15.213 ( -13.108 -39.973 0.000) 42.067 15.720 ( 16.288 6.018 0.000) 17.364 16.225 ( -7.933 -18.240 0.000) 19.890 17.475 ( -4.236 6.280 -0.000) 7.575 17.510 ( -6.776 5.883 -0.000) 8.973 21.300 ( -1.630 19.546 -0.000) 19.614 21.492 ( -7.842 16.744 -0.000) 18.490 21.693 ( -12.392 8.018 -0.000) 14.760 21.820 ( -13.936 6.375 -0.000) 15.325======================= Grid point 190 (68/84) =======================q-point: (-0.25 -0.25 0.25)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.570 ( 0.000 0.000 -28.501) 28.501 0.570 ( 0.000 0.000 -28.501) 28.501 1.321 ( 0.000 0.000 -69.448) 69.448 1.845 ( -0.000 -0.000 24.514) 24.514 1.845 ( -0.000 -0.000 24.514) 24.514 3.202 ( 0.000 0.000 -23.206) 23.206 3.202 ( 0.000 0.000 -23.206) 23.206 3.663 ( -0.000 -0.000 48.705) 48.705 4.717 ( -0.000 -0.000 19.129) 19.129 4.717 ( -0.000 -0.000 19.129) 19.129 5.334 ( 0.000 0.000 -8.294) 8.294 5.334 ( 0.000 0.000 -8.294) 8.294 6.858 ( 0.000 0.000 -33.867) 33.867 7.847 ( 0.000 0.000 -3.248) 3.248 7.847 ( 0.000 0.000 -3.248) 3.248 8.089 ( -0.000 -0.000 25.694) 25.694 8.733 ( 0.000 0.000 -9.763) 9.763 8.734 ( -0.000 -0.000 2.378) 2.378 8.734 ( -0.000 -0.000 2.378) 2.378 8.938 ( -0.000 -0.000 2.217) 2.217 10.033 ( -0.000 -0.000 0.070) 0.070 10.033 ( -0.000 -0.000 0.070) 0.070 10.730 ( -0.000 -0.000 0.014) 0.014 10.730 ( -0.000 -0.000 0.014) 0.014 11.119 ( 0.000 0.000 -0.506) 0.506 11.119 ( 0.000 0.000 -0.506) 0.506 11.356 ( 0.000 0.000 -3.037) 3.037 11.499 ( -0.000 -0.000 2.918) 2.918 13.163 ( 0.000 0.000 -2.048) 2.048 13.256 ( -0.000 -0.000 1.762) 1.762 13.303 ( 0.000 0.000 -0.077) 0.077 13.303 ( 0.000 0.000 -0.077) 0.077 15.332 ( 0.000 0.000 -0.941) 0.941 15.390 ( -0.000 -0.000 1.449) 1.449 16.728 ( 0.000 0.000 -5.044) 5.044 16.913 ( -0.000 -0.000 2.788) 2.788 17.714 ( 0.000 0.000 -0.207) 0.207 17.714 ( 0.000 0.000 -0.207) 0.207 22.031 ( -0.000 -0.000 0.143) 0.143 22.031 ( -0.000 -0.000 0.143) 0.143 22.139 ( 0.000 0.000 -0.147) 0.147 22.139 ( 0.000 0.000 -0.147) 0.147======================= Grid point 203 (69/84) =======================q-point: (-0.73 -0.27 0.27)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( -0.000 -3.018 0.000) 3.018 2.515 ( 0.000 0.999 -0.000) 0.999 3.222 ( -0.000 -3.790 0.000) 3.790 3.399 ( -0.000 -5.272 0.000) 5.272 3.650 ( 0.000 0.888 -0.000) 0.888 3.919 ( -0.000 -3.841 0.000) 3.841 5.055 ( -0.000 -28.250 0.000) 28.250 5.458 ( 0.000 4.449 -0.000) 4.449 5.728 ( 0.000 19.373 -0.000) 19.373 6.692 ( 0.000 0.755 -0.000) 0.755 7.368 ( -0.000 -10.579 0.000) 10.579 7.379 ( 0.000 6.645 -0.000) 6.645 7.723 ( -0.000 -0.726 0.000) 0.726 7.831 ( 0.000 4.444 -0.000) 4.444 8.662 ( -0.000 -4.202 0.000) 4.202 8.762 ( -0.000 -7.007 0.000) 7.007 8.793 ( -0.000 -2.942 0.000) 2.942 9.089 ( 0.000 0.806 -0.000) 0.806 9.197 ( 0.000 2.808 -0.000) 2.808 9.731 ( 0.000 4.843 -0.000) 4.843 9.831 ( -0.000 -38.876 0.000) 38.876 10.385 ( -0.000 -24.261 0.000) 24.261 10.448 ( -0.000 -5.575 0.000) 5.575 10.628 ( 0.000 38.296 -0.000) 38.296 10.807 ( 0.000 0.830 -0.000) 0.830 10.880 ( 0.000 12.015 -0.000) 12.015 10.884 ( 0.000 21.816 -0.000) 21.816 11.459 ( 0.000 1.790 -0.000) 1.790 12.198 ( -0.000 -9.317 0.000) 9.317 13.526 ( 0.000 1.579 -0.000) 1.579 13.741 ( 0.000 0.060 -0.000) 0.060 14.296 ( 0.000 1.314 -0.000) 1.314 15.022 ( 0.000 0.840 -0.000) 0.840 15.246 ( -0.000 -22.781 0.000) 22.781 17.176 ( -0.000 -20.357 0.000) 20.357 17.192 ( -0.000 -12.955 0.000) 12.955 17.432 ( 0.000 10.532 -0.000) 10.532 17.506 ( 0.000 0.635 -0.000) 0.635 20.479 ( 0.000 12.111 -0.000) 12.111 20.654 ( 0.000 16.706 -0.000) 16.706 22.021 ( -0.000 -0.462 0.000) 0.462 22.033 ( 0.000 0.797 -0.000) 0.797======================= Grid point 205 (70/84) =======================q-point: (-0.73 -0.27 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 27.611 -5.020 0.000) 28.064 2.614 ( 9.712 -2.120 0.000) 9.941 3.120 ( 5.248 -10.441 0.000) 11.686 3.288 ( 3.953 -10.180 0.000) 10.921 3.616 ( 0.877 -5.184 0.000) 5.258 3.794 ( -0.565 -7.171 0.000) 7.193 5.092 ( 51.009 -23.941 0.000) 56.348 5.636 ( 20.301 -7.125 0.000) 21.515 6.632 ( -2.268 5.720 -0.000) 6.153 6.715 ( 44.703 19.207 0.000) 48.654 7.201 ( 2.302 -6.631 0.000) 7.020 7.382 ( -7.931 -4.207 -0.000) 8.978 7.534 ( -10.631 -0.116 -0.000) 10.632 7.905 ( 0.589 1.706 -0.000) 1.805 8.164 ( -29.002 -16.713 -0.000) 33.473 8.380 ( -2.285 -15.812 0.000) 15.977 8.788 ( 18.823 -6.592 0.000) 19.944 9.072 ( -2.138 6.762 -0.000) 7.092 9.373 ( 5.464 5.661 -0.000) 7.868 9.641 ( 32.832 -23.814 0.000) 40.559 9.927 ( -9.604 -6.573 -0.000) 11.638 10.211 ( 26.201 3.594 0.000) 26.446 10.303 ( -2.321 -6.565 0.000) 6.963 10.715 ( -8.137 -0.344 -0.000) 8.144 11.051 ( -5.459 15.649 -0.000) 16.574 11.257 ( 10.208 -2.918 0.000) 10.617 11.480 ( -0.528 0.101 -0.000) 0.538 11.675 ( 22.243 28.393 -0.000) 36.068 11.972 ( -1.157 -5.750 0.000) 5.865 13.501 ( -0.450 -4.981 0.000) 5.001 13.764 ( -3.752 6.599 -0.000) 7.591 14.114 ( -5.456 -29.160 0.000) 29.666 14.533 ( -8.852 -17.857 0.000) 19.931 15.120 ( 6.938 1.788 0.000) 7.165 16.455 ( -5.433 -39.840 0.000) 40.208 16.860 ( -4.463 -15.359 0.000) 15.995 17.509 ( -2.095 2.525 -0.000) 3.281 17.589 ( -3.287 8.215 -0.000) 8.848 20.881 ( -0.080 23.860 -0.000) 23.860 21.159 ( -2.408 30.345 -0.000) 30.441 21.979 ( -3.572 0.073 -0.000) 3.573 22.029 ( -2.492 1.802 -0.000) 3.075======================= Grid point 207 (71/84) =======================q-point: (-0.73 -0.27 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.530 ( 30.044 -6.891 0.000) 30.824 2.777 ( 13.818 -6.762 0.000) 15.384 3.060 ( 11.890 -12.058 0.000) 16.934 3.138 ( 7.039 -14.887 0.000) 16.467 3.491 ( 2.562 -9.499 0.000) 9.839 3.623 ( 0.181 -9.347 0.000) 9.348 5.763 ( 44.289 -15.852 0.000) 47.040 5.919 ( 18.701 -7.107 0.000) 20.006 6.673 ( 10.908 0.005 0.000) 10.908 7.018 ( -13.592 -1.626 -0.000) 13.689 7.145 ( -2.738 -2.427 -0.000) 3.659 7.364 ( -17.560 -5.550 -0.000) 18.416 7.383 ( -2.478 -4.445 0.000) 5.089 7.654 ( 10.187 -34.814 0.000) 36.274 8.434 ( 17.925 7.078 0.000) 19.272 8.455 ( 84.185 8.116 0.000) 84.576 9.102 ( 16.119 -0.055 0.000) 16.119 9.292 ( 12.580 3.105 0.000) 12.958 9.512 ( 1.324 -0.707 0.000) 1.501 9.750 ( 14.467 -18.943 0.000) 23.836 9.797 ( -4.922 8.254 -0.000) 9.610 10.082 ( -10.053 -4.777 -0.000) 11.130 10.419 ( 6.906 -29.077 0.000) 29.886 10.709 ( 19.400 -2.744 0.000) 19.593 11.009 ( 0.665 -13.494 0.000) 13.511 11.255 ( -0.914 7.870 -0.000) 7.922 11.731 ( 12.386 6.068 0.000) 13.792 11.948 ( -4.095 5.136 -0.000) 6.569 12.345 ( 2.557 -13.208 0.000) 13.453 12.732 ( -3.183 -47.380 0.000) 47.487 13.710 ( 11.625 5.394 0.000) 12.816 13.873 ( -8.775 16.608 -0.000) 18.784 14.294 ( -18.773 10.593 -0.000) 21.555 15.312 ( 7.895 -16.098 0.000) 17.929 15.547 ( -4.242 -19.446 0.000) 19.903 16.388 ( -7.828 -18.201 0.000) 19.813 17.539 ( -2.127 4.657 -0.000) 5.119 17.636 ( -5.504 5.394 -0.000) 7.706 21.333 ( -1.613 20.680 -0.000) 20.743 21.636 ( -6.525 21.765 -0.000) 22.722 21.897 ( -7.306 4.481 -0.000) 8.571 22.018 ( -5.720 5.203 -0.000) 7.732======================= Grid point 209 (72/84) =======================q-point: ( 0.27 0.73 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.846 ( 14.156 -15.480 0.000) 20.977 2.846 ( 15.480 -14.156 0.000) 20.977 3.043 ( 12.222 -12.586 0.000) 17.544 3.043 ( 12.586 -12.222 0.000) 17.544 3.450 ( 6.117 -7.024 0.000) 9.314 3.450 ( 7.024 -6.117 0.000) 9.314 6.042 ( 10.465 -10.541 0.000) 14.854 6.042 ( 10.541 -10.465 0.000) 14.854 6.899 ( -7.419 3.014 -0.000) 8.008 6.899 ( -3.014 7.419 -0.000) 8.008 7.079 ( 11.569 -31.995 0.000) 34.023 7.079 ( 31.995 -11.569 0.000) 34.023 7.311 ( 1.442 -2.794 0.000) 3.144 7.311 ( 2.794 -1.442 0.000) 3.144 9.172 ( -8.622 -28.464 0.000) 29.741 9.172 ( 28.464 8.622 0.000) 29.741 9.424 ( 5.877 -15.106 0.000) 16.209 9.424 ( 15.106 -5.877 0.000) 16.209 9.641 ( 2.997 -18.711 0.000) 18.950 9.641 ( 18.711 -2.997 0.000) 18.950 9.966 ( 2.947 -8.122 0.000) 8.640 9.966 ( 8.122 -2.947 0.000) 8.640 10.472 ( -2.879 -71.242 0.000) 71.300 10.472 ( 71.242 2.879 0.000) 71.300 10.927 ( 2.377 -2.382 0.000) 3.365 10.927 ( 2.382 -2.377 0.000) 3.365 11.802 ( -2.325 0.162 0.000) 2.331 11.802 ( -0.162 2.325 0.000) 2.331 12.285 ( -12.003 -12.438 0.000) 17.285 12.285 ( 12.438 12.003 0.000) 17.285 14.054 ( -17.715 15.483 0.000) 23.527 14.054 ( -15.483 17.715 0.000) 23.527 14.476 ( -11.939 -30.544 0.000) 32.794 14.476 ( 30.544 11.939 0.000) 32.794 15.854 ( -6.927 -17.402 0.000) 18.730 15.854 ( 17.402 6.927 0.000) 18.730 17.600 ( -5.756 3.190 -0.000) 6.581 17.600 ( -3.190 5.756 -0.000) 6.581 21.632 ( -12.428 3.228 -0.000) 12.840 21.632 ( -3.228 12.428 -0.000) 12.840 21.973 ( -11.956 9.742 0.000) 15.422 21.973 ( -9.742 11.956 0.000) 15.422======================= Grid point 236 (73/84) =======================q-point: (-0.69 -0.31 0.31)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.706 ( -0.000 -5.552 0.000) 5.552 2.511 ( -0.000 -1.775 0.000) 1.775 3.066 ( -0.000 -11.232 0.000) 11.232 3.247 ( -0.000 -10.034 0.000) 10.034 3.615 ( -0.000 -4.152 0.000) 4.152 3.802 ( -0.000 -7.232 0.000) 7.232 4.495 ( -0.000 -26.102 0.000) 26.102 5.402 ( -0.000 -6.297 0.000) 6.297 6.161 ( 0.000 18.449 -0.000) 18.449 6.727 ( 0.000 1.517 -0.000) 1.517 7.183 ( -0.000 -6.988 0.000) 6.988 7.429 ( -0.000 -2.165 0.000) 2.165 7.695 ( -0.000 -1.597 0.000) 1.597 7.935 ( 0.000 2.106 -0.000) 2.106 8.444 ( -0.000 -22.421 0.000) 22.421 8.520 ( -0.000 -8.831 0.000) 8.831 8.699 ( -0.000 -5.858 0.000) 5.858 9.074 ( -0.000 -33.755 0.000) 33.755 9.131 ( 0.000 3.659 -0.000) 3.659 9.307 ( 0.000 7.280 -0.000) 7.280 9.898 ( 0.000 10.620 -0.000) 10.620 10.050 ( -0.000 -7.002 0.000) 7.002 10.327 ( -0.000 -6.404 0.000) 6.404 10.842 ( 0.000 2.532 -0.000) 2.532 11.114 ( -0.000 -2.777 0.000) 2.777 11.155 ( 0.000 14.257 -0.000) 14.257 11.375 ( 0.000 34.838 -0.000) 34.838 11.489 ( -0.000 -4.218 0.000) 4.218 11.987 ( -0.000 -3.493 0.000) 3.493 13.510 ( -0.000 -6.062 0.000) 6.062 13.803 ( 0.000 7.136 -0.000) 7.136 14.171 ( -0.000 -31.544 0.000) 31.544 14.626 ( -0.000 -13.655 0.000) 13.655 15.049 ( 0.000 1.495 -0.000) 1.495 16.511 ( -0.000 -39.861 0.000) 39.861 16.908 ( -0.000 -14.933 0.000) 14.933 17.530 ( 0.000 1.702 -0.000) 1.702 17.624 ( 0.000 8.144 -0.000) 8.144 20.882 ( 0.000 24.471 -0.000) 24.471 21.184 ( 0.000 31.110 -0.000) 31.110 22.015 ( -0.000 -0.146 0.000) 0.146 22.052 ( 0.000 1.072 -0.000) 1.072======================= Grid point 238 (74/84) =======================q-point: (-0.69 -0.31 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.906 ( 28.315 -7.101 0.000) 29.192 2.537 ( 9.542 -5.737 0.000) 11.134 2.854 ( 7.404 -15.358 0.000) 17.049 3.025 ( 3.869 -15.360 0.000) 15.839 3.465 ( -0.040 -9.491 0.000) 9.491 3.632 ( -0.859 -8.599 0.000) 8.642 4.655 ( 53.448 -18.763 0.000) 56.646 5.473 ( 20.075 -8.633 0.000) 21.852 6.627 ( -1.925 -7.300 0.000) 7.550 6.943 ( 53.237 -2.809 0.000) 53.311 7.139 ( 0.743 1.386 -0.000) 1.573 7.255 ( -7.080 -8.947 0.000) 11.409 7.488 ( -3.324 -10.290 0.000) 10.814 7.524 ( -3.458 -30.560 0.000) 30.755 7.921 ( -27.956 -2.725 -0.000) 28.089 8.278 ( 1.649 6.770 -0.000) 6.968 8.630 ( 23.248 -9.374 0.000) 25.066 9.180 ( 28.745 -18.290 0.000) 34.071 9.230 ( -0.554 8.725 -0.000) 8.742 9.543 ( 4.757 7.536 -0.000) 8.912 9.959 ( -8.540 7.372 -0.000) 11.282 10.148 ( 0.960 -12.619 0.000) 12.656 10.314 ( 16.310 6.231 0.000) 17.460 10.515 ( -11.964 -23.809 0.000) 26.646 10.986 ( 3.008 -7.759 0.000) 8.321 11.338 ( -5.229 9.387 -0.000) 10.745 11.485 ( 9.472 1.256 0.000) 9.555 12.049 ( -4.045 7.233 -0.000) 8.288 12.186 ( 11.380 18.064 -0.000) 21.350 12.752 ( -0.317 -60.151 0.000) 60.151 13.628 ( -1.117 -4.801 0.000) 4.930 14.015 ( -4.913 18.361 -0.000) 19.007 14.620 ( -11.875 13.280 -0.000) 17.815 15.129 ( 6.972 -3.310 0.000) 7.718 15.669 ( -4.964 -32.976 0.000) 33.348 16.527 ( -5.361 -17.386 0.000) 18.194 17.566 ( -0.693 3.076 -0.000) 3.153 17.726 ( -3.183 5.205 -0.000) 6.101 21.364 ( -1.283 22.036 -0.000) 22.074 21.752 ( -4.529 25.466 -0.000) 25.866 21.993 ( -2.466 2.045 -0.000) 3.203 22.075 ( -0.621 2.755 -0.000) 2.824======================= Grid point 240 (75/84) =======================q-point: (-0.69 -0.31 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.370 ( 29.021 -8.958 0.000) 30.373 2.580 ( 12.046 -13.613 0.000) 18.177 2.790 ( 13.678 -14.043 0.000) 19.604 2.824 ( 8.622 -15.238 0.000) 17.509 3.301 ( 4.985 -8.127 0.000) 9.535 3.414 ( -0.097 -10.981 0.000) 10.981 5.479 ( 47.624 -12.158 0.000) 49.152 5.747 ( 20.231 -10.979 0.000) 23.018 6.484 ( 19.703 -20.773 0.000) 28.631 6.792 ( 13.948 -43.113 0.000) 45.313 6.976 ( -4.261 -4.223 -0.000) 5.999 7.034 ( -1.169 -10.965 0.000) 11.027 7.275 ( 1.423 -0.147 0.000) 1.430 7.338 ( -2.480 -2.263 -0.000) 3.357 8.574 ( 61.136 -0.808 0.000) 61.142 8.616 ( 16.934 8.399 0.000) 18.903 8.912 ( 27.606 -16.550 0.000) 32.187 9.338 ( 13.834 -17.213 0.000) 22.084 9.379 ( 2.595 -21.231 0.000) 21.389 9.453 ( 3.318 9.474 -0.000) 10.039 9.773 ( -0.822 -13.057 0.000) 13.083 9.999 ( -6.841 10.178 -0.000) 12.263 10.094 ( -7.362 4.006 -0.000) 8.381 10.504 ( 1.327 -38.623 0.000) 38.646 10.887 ( 1.343 -24.735 0.000) 24.771 10.911 ( -1.007 -2.516 0.000) 2.710 11.832 ( 9.483 4.204 0.000) 10.373 11.835 ( -3.830 2.675 -0.000) 4.671 12.094 ( -0.398 10.241 -0.000) 10.248 12.529 ( -10.328 -4.915 -0.000) 11.438 13.869 ( 21.832 9.239 0.000) 23.706 14.301 ( -10.833 22.467 -0.000) 24.943 14.569 ( -22.629 15.812 -0.000) 27.606 14.684 ( -8.151 -29.211 0.000) 30.327 15.538 ( 12.615 4.591 0.000) 13.425 16.007 ( -7.734 -18.888 0.000) 20.410 17.635 ( -0.576 4.732 -0.000) 4.767 17.714 ( -5.099 2.226 -0.000) 5.563 21.682 ( -2.484 13.314 -0.000) 13.543 21.842 ( -8.131 2.848 -0.000) 8.615 22.134 ( -6.871 13.818 -0.000) 15.432 22.149 ( -3.747 7.557 -0.000) 8.435======================= Grid point 270 (76/84) =======================q-point: (-0.65 -0.35 0.35)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.570 ( -0.000 -7.825 0.000) 7.825 2.424 ( -0.000 -7.234 0.000) 7.234 2.780 ( -0.000 -16.539 0.000) 16.539 2.985 ( -0.000 -15.473 0.000) 15.473 3.484 ( -0.000 -8.770 0.000) 8.770 3.644 ( -0.000 -8.184 0.000) 8.184 4.022 ( -0.000 -19.739 0.000) 19.739 5.243 ( -0.000 -8.961 0.000) 8.961 6.375 ( 0.000 0.559 -0.000) 0.559 6.656 ( -0.000 -10.946 0.000) 10.946 7.132 ( 0.000 2.468 -0.000) 2.468 7.313 ( -0.000 -11.011 0.000) 11.011 7.466 ( -0.000 -31.620 0.000) 31.620 7.694 ( -0.000 -11.530 0.000) 11.530 8.271 ( 0.000 5.602 -0.000) 5.602 8.330 ( -0.000 -9.417 0.000) 9.417 8.528 ( -0.000 -17.550 0.000) 17.550 8.562 ( -0.000 -7.622 0.000) 7.622 9.244 ( 0.000 7.295 -0.000) 7.295 9.488 ( 0.000 9.864 -0.000) 9.864 10.061 ( 0.000 6.131 -0.000) 6.131 10.133 ( 0.000 11.937 -0.000) 11.937 10.138 ( -0.000 -16.878 0.000) 16.878 10.697 ( -0.000 -28.234 0.000) 28.234 10.905 ( 0.000 3.590 -0.000) 3.590 11.388 ( -0.000 -2.733 0.000) 2.733 11.408 ( 0.000 7.235 -0.000) 7.235 12.033 ( 0.000 29.658 -0.000) 29.658 12.091 ( 0.000 7.912 -0.000) 7.912 12.758 ( -0.000 -63.500 0.000) 63.500 13.653 ( -0.000 -6.952 0.000) 6.952 14.066 ( 0.000 18.841 -0.000) 18.841 14.745 ( 0.000 14.573 -0.000) 14.573 15.058 ( -0.000 -2.147 0.000) 2.147 15.721 ( -0.000 -34.180 0.000) 34.180 16.585 ( -0.000 -16.735 0.000) 16.735 17.573 ( 0.000 2.379 -0.000) 2.379 17.760 ( 0.000 5.180 -0.000) 5.180 21.378 ( 0.000 22.827 -0.000) 22.827 21.802 ( 0.000 27.933 -0.000) 27.933 22.014 ( 0.000 0.102 -0.000) 0.102 22.075 ( 0.000 1.208 -0.000) 1.208======================= Grid point 272 (77/84) =======================q-point: (-0.65 -0.35 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 254Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.745 ( 29.219 -8.608 0.000) 30.461 2.370 ( 9.769 -11.168 0.000) 14.838 2.508 ( 11.728 -18.074 0.000) 21.546 2.689 ( 4.547 -16.908 0.000) 17.508 3.245 ( 0.652 -11.598 0.000) 11.616 3.437 ( -1.625 -10.938 0.000) 11.058 4.333 ( 53.802 -13.053 0.000) 55.363 5.290 ( 20.930 -9.424 0.000) 22.954 6.260 ( 4.919 -31.115 0.000) 31.501 6.606 ( 5.022 -45.325 0.000) 45.602 6.617 ( 37.226 -23.444 0.000) 43.993 7.052 ( -2.746 -15.910 0.000) 16.145 7.226 ( 0.464 5.142 -0.000) 5.163 7.427 ( -6.131 -2.941 -0.000) 6.800 8.029 ( -6.999 7.953 -0.000) 10.594 8.389 ( 18.366 -12.365 0.000) 22.140 8.462 ( 5.447 8.234 -0.000) 9.872 8.874 ( 24.368 -11.219 0.000) 26.827 9.418 ( 0.623 9.346 -0.000) 9.367 9.470 ( -3.442 -33.230 0.000) 33.408 9.735 ( 3.393 1.889 0.000) 3.883 10.156 ( -7.182 10.804 -0.000) 12.973 10.304 ( -10.728 1.744 -0.000) 10.869 10.426 ( 4.806 0.121 0.000) 4.808 10.887 ( -0.845 -53.835 0.000) 53.841 10.950 ( -2.292 -0.414 -0.000) 2.329 11.518 ( 15.970 2.505 0.000) 16.165 11.939 ( -5.573 1.181 -0.000) 5.697 12.190 ( -4.791 7.394 -0.000) 8.810 12.625 ( 1.491 12.616 -0.000) 12.704 13.582 ( 5.959 -0.584 0.000) 5.988 14.463 ( -4.624 19.355 -0.000) 19.900 14.806 ( -4.013 -18.926 0.000) 19.347 14.972 ( -15.241 20.938 -0.000) 25.898 15.364 ( 4.597 -0.796 0.000) 4.666 16.157 ( -6.466 -18.765 0.000) 19.848 17.632 ( 0.595 3.301 -0.000) 3.354 17.800 ( -3.124 1.975 -0.000) 3.696 21.737 ( -2.777 14.068 -0.000) 14.339 21.971 ( -4.493 1.367 -0.000) 4.696 22.146 ( 2.875 4.423 -0.000) 5.275 22.240 ( -3.434 16.129 -0.000) 16.491======================= Grid point 274 (78/84) =======================q-point: ( 0.35 0.65 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.172 ( 10.126 -26.420 0.000) 28.294 2.172 ( 26.420 -10.126 0.000) 28.294 2.530 ( 11.678 -13.213 0.000) 17.634 2.530 ( 13.213 -11.678 0.000) 17.634 3.191 ( 5.809 -7.196 0.000) 9.249 3.191 ( 7.196 -5.809 0.000) 9.249 5.265 ( 11.183 -43.850 0.000) 45.253 5.265 ( 43.850 -11.183 0.000) 45.253 5.945 ( 21.156 -37.583 0.000) 43.128 5.945 ( 37.583 -21.156 0.000) 43.128 6.773 ( 13.726 -19.443 0.000) 23.800 6.773 ( 19.443 -13.726 0.000) 23.800 7.315 ( -1.743 1.379 0.000) 2.223 7.315 ( -1.379 1.743 0.000) 2.223 8.381 ( 16.278 -24.494 0.000) 29.410 8.381 ( 24.494 -16.278 0.000) 29.410 8.827 ( -7.287 -16.088 0.000) 17.662 8.827 ( 16.088 7.287 0.000) 17.662 9.368 ( -5.731 -37.198 0.000) 37.637 9.368 ( 37.198 5.731 0.000) 37.637 9.693 ( -1.928 1.506 0.000) 2.447 9.693 ( -1.506 1.928 0.000) 2.447 10.232 ( -9.572 8.983 0.000) 13.127 10.232 ( -8.983 9.572 0.000) 13.127 10.813 ( -1.695 -6.015 0.000) 6.249 10.813 ( 6.015 1.695 0.000) 6.249 11.924 ( -1.965 0.634 0.000) 2.065 11.924 ( -0.634 1.965 0.000) 2.065 12.383 ( -16.356 -4.457 -0.000) 16.952 12.383 ( 4.457 16.356 -0.000) 16.952 14.052 ( -7.757 -24.961 0.000) 26.139 14.052 ( 24.961 7.757 0.000) 26.139 14.910 ( -24.455 21.075 0.000) 32.283 14.910 ( -21.075 24.455 0.000) 32.283 15.644 ( -5.507 -15.712 0.000) 16.649 15.644 ( 15.712 5.507 0.000) 16.649 17.729 ( -3.990 -0.135 0.000) 3.992 17.729 ( 0.135 3.990 0.000) 3.992 21.885 ( -6.491 2.633 0.000) 7.005 21.885 ( -2.633 6.491 0.000) 7.005 22.309 ( -5.817 4.435 0.000) 7.314 22.309 ( -4.435 5.817 0.000) 7.314======================= Grid point 305 (79/84) =======================q-point: (-0.62 -0.38 0.38)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.391 ( -0.000 -9.606 0.000) 9.606 2.209 ( -0.000 -13.634 0.000) 13.634 2.403 ( -0.000 -20.516 0.000) 20.516 2.643 ( -0.000 -17.444 0.000) 17.444 3.258 ( -0.000 -13.404 0.000) 13.404 3.457 ( -0.000 -10.662 0.000) 10.662 3.710 ( -0.000 -11.024 0.000) 11.024 5.045 ( -0.000 -10.460 0.000) 10.460 6.173 ( -0.000 -18.061 0.000) 18.061 6.219 ( -0.000 -34.181 0.000) 34.181 6.558 ( -0.000 -45.834 0.000) 45.834 7.080 ( -0.000 -20.070 0.000) 20.070 7.228 ( 0.000 5.475 -0.000) 5.475 7.520 ( -0.000 -6.722 0.000) 6.722 8.150 ( -0.000 -8.084 0.000) 8.084 8.378 ( -0.000 -10.860 0.000) 10.860 8.389 ( 0.000 2.135 -0.000) 2.135 8.432 ( 0.000 8.781 -0.000) 8.781 9.414 ( 0.000 8.916 -0.000) 8.916 9.505 ( -0.000 -35.269 0.000) 35.269 9.691 ( 0.000 9.723 -0.000) 9.723 10.240 ( 0.000 10.554 -0.000) 10.554 10.367 ( 0.000 10.756 -0.000) 10.756 10.435 ( -0.000 -0.309 0.000) 0.309 10.899 ( -0.000 -61.088 0.000) 61.088 10.982 ( 0.000 3.822 -0.000) 3.822 11.323 ( -0.000 -4.122 0.000) 4.122 12.011 ( -0.000 -1.083 0.000) 1.083 12.242 ( 0.000 7.452 -0.000) 7.452 12.573 ( 0.000 23.278 -0.000) 23.278 13.546 ( -0.000 -5.477 0.000) 5.477 14.503 ( 0.000 15.383 -0.000) 15.383 14.849 ( -0.000 -10.593 0.000) 10.593 15.134 ( 0.000 23.418 -0.000) 23.418 15.324 ( -0.000 -4.256 0.000) 4.256 16.232 ( -0.000 -17.674 0.000) 17.674 17.623 ( 0.000 2.513 -0.000) 2.513 17.833 ( 0.000 1.982 -0.000) 1.982 21.773 ( 0.000 15.547 -0.000) 15.547 22.018 ( 0.000 0.239 -0.000) 0.239 22.100 ( 0.000 1.158 -0.000) 1.158 22.274 ( 0.000 17.722 -0.000) 17.722======================= Grid point 307 (80/84) =======================q-point: (-0.62 -0.38 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 255Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.564 ( 29.945 -8.884 0.000) 31.235 2.000 ( 6.260 -25.506 0.000) 26.263 2.201 ( 19.413 -11.744 0.000) 22.689 2.359 ( 5.823 -15.496 0.000) 16.553 3.017 ( 6.208 -10.253 0.000) 11.986 3.178 ( -0.623 -14.674 0.000) 14.687 4.120 ( 52.080 -7.983 0.000) 52.688 5.052 ( 14.894 -21.670 0.000) 26.295 5.339 ( 17.099 -49.428 0.000) 52.303 5.718 ( 5.646 -40.837 0.000) 41.226 6.145 ( 32.884 -20.845 0.000) 38.934 6.554 ( 7.891 -34.127 0.000) 35.027 7.324 ( -0.876 4.737 -0.000) 4.817 7.395 ( -4.120 0.039 -0.000) 4.120 8.083 ( 1.328 -3.277 0.000) 3.536 8.122 ( 10.215 -11.262 0.000) 15.204 8.646 ( 3.918 8.813 -0.000) 9.644 8.773 ( 21.455 1.714 0.000) 21.524 8.959 ( -5.096 -13.947 0.000) 14.849 9.469 ( -3.082 -26.019 0.000) 26.201 9.745 ( -4.137 -11.395 0.000) 12.123 9.815 ( -5.084 3.476 -0.000) 6.159 10.394 ( -6.628 11.103 -0.000) 12.930 10.431 ( -8.937 9.091 -0.000) 12.748 10.652 ( 7.485 6.140 0.000) 9.681 10.902 ( -6.091 -4.373 -0.000) 7.498 11.622 ( 22.914 7.973 0.000) 24.261 12.022 ( -4.137 0.113 -0.000) 4.138 12.387 ( -3.238 12.902 -0.000) 13.302 12.760 ( -17.302 0.956 -0.000) 17.328 13.615 ( 17.059 3.848 0.000) 17.487 14.175 ( -3.977 -24.437 0.000) 24.759 15.189 ( -7.973 33.213 -0.000) 34.157 15.408 ( 5.274 4.664 0.000) 7.040 15.446 ( -19.850 23.908 -0.000) 31.075 15.787 ( -9.426 -16.035 0.000) 18.600 17.699 ( 2.047 3.239 -0.000) 3.831 17.808 ( -3.071 -1.048 -0.000) 3.245 21.935 ( -3.224 5.959 -0.000) 6.775 21.989 ( -3.337 0.781 -0.000) 3.427 22.250 ( 7.246 5.286 0.000) 8.969 22.439 ( -4.818 2.554 -0.000) 5.453======================= Grid point 341 (81/84) =======================q-point: (-0.58 -0.42 0.42)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.189 ( -0.000 -9.922 0.000) 9.922 1.901 ( -0.000 -15.502 0.000) 15.502 1.935 ( -0.000 -26.039 0.000) 26.039 2.300 ( -0.000 -16.163 0.000) 16.163 2.953 ( -0.000 -15.708 0.000) 15.708 3.189 ( -0.000 -16.189 0.000) 16.189 3.556 ( -0.000 -4.695 0.000) 4.695 4.817 ( -0.000 -11.907 0.000) 11.907 5.211 ( -0.000 -62.640 0.000) 62.640 5.662 ( -0.000 -41.294 0.000) 41.294 5.776 ( -0.000 -18.137 0.000) 18.137 6.471 ( -0.000 -38.565 0.000) 38.565 7.336 ( 0.000 5.458 -0.000) 5.458 7.447 ( -0.000 -0.577 0.000) 0.577 8.008 ( -0.000 -5.802 0.000) 5.802 8.139 ( -0.000 -11.163 0.000) 11.163 8.511 ( 0.000 7.763 -0.000) 7.763 8.612 ( 0.000 8.831 -0.000) 8.831 9.015 ( -0.000 -12.697 0.000) 12.697 9.497 ( -0.000 -17.703 0.000) 17.703 9.800 ( -0.000 -21.402 0.000) 21.402 9.869 ( 0.000 7.575 -0.000) 7.575 10.472 ( 0.000 11.892 -0.000) 11.892 10.542 ( 0.000 9.063 -0.000) 9.063 10.560 ( 0.000 8.018 -0.000) 8.018 11.055 ( 0.000 3.183 -0.000) 3.183 11.246 ( -0.000 -1.898 0.000) 1.898 12.069 ( 0.000 0.099 -0.000) 0.099 12.427 ( 0.000 11.595 -0.000) 11.595 12.974 ( 0.000 16.019 -0.000) 16.019 13.412 ( -0.000 -7.497 0.000) 7.497 14.214 ( -0.000 -23.427 0.000) 23.427 15.220 ( 0.000 16.977 -0.000) 16.977 15.411 ( 0.000 22.242 -0.000) 22.242 15.624 ( 0.000 14.253 -0.000) 14.253 15.948 ( 0.000 0.330 -0.000) 0.330 17.671 ( 0.000 2.076 -0.000) 2.076 17.842 ( -0.000 -1.006 0.000) 1.006 22.001 ( 0.000 6.786 -0.000) 6.786 22.023 ( 0.000 0.252 -0.000) 0.252 22.121 ( 0.000 0.912 -0.000) 0.912 22.491 ( 0.000 2.719 -0.000) 2.719======================= Grid point 343 (82/84) =======================q-point: ( 0.42 0.58 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 140Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.405 ( 6.232 -30.179 0.000) 30.816 1.405 ( 30.179 -6.232 0.000) 30.816 2.005 ( 8.508 -20.631 0.000) 22.316 2.005 ( 20.631 -8.508 0.000) 22.316 2.854 ( 9.824 -11.022 0.000) 14.765 2.854 ( 11.022 -9.824 0.000) 14.765 4.004 ( 3.962 -49.162 0.000) 49.321 4.004 ( 49.162 -3.962 0.000) 49.321 4.967 ( 7.525 -31.981 0.000) 32.854 4.967 ( 31.981 -7.525 0.000) 32.854 5.819 ( 10.743 -30.567 0.000) 32.400 5.819 ( 30.567 -10.743 0.000) 32.400 7.423 ( -3.497 3.382 0.000) 4.865 7.423 ( -3.382 3.497 0.000) 4.865 7.978 ( 3.651 -4.551 0.000) 5.835 7.978 ( 4.551 -3.651 0.000) 5.835 8.808 ( -4.758 -1.803 0.000) 5.088 8.808 ( 1.803 4.758 0.000) 5.088 8.862 ( -4.527 -19.917 0.000) 20.425 8.862 ( 19.917 4.527 0.000) 20.425 9.873 ( -7.048 4.501 0.000) 8.363 9.873 ( -4.501 7.048 0.000) 8.363 10.609 ( -8.327 7.809 0.000) 11.416 10.609 ( -7.809 8.327 0.000) 11.416 10.802 ( -9.241 -3.667 0.000) 9.942 10.802 ( 3.667 9.241 0.000) 9.942 11.801 ( -2.063 -16.911 0.000) 17.036 11.801 ( 16.911 2.063 0.000) 17.036 12.749 ( -21.993 0.487 0.000) 21.999 12.749 ( -0.487 21.993 0.000) 21.999 13.706 ( -3.680 -21.738 0.000) 22.048 13.706 ( 21.738 3.680 0.000) 22.048 15.450 ( -2.647 -10.773 0.000) 11.093 15.450 ( 10.773 2.647 0.000) 11.093 15.974 ( -31.946 26.263 0.000) 41.355 15.974 ( -26.263 31.946 0.000) 41.355 17.761 ( -2.360 -3.092 0.000) 3.890 17.761 ( 3.092 2.360 0.000) 3.890 22.009 ( -1.747 1.634 0.000) 2.392 22.009 ( -1.634 1.747 0.000) 2.392 22.337 ( 0.119 -8.320 0.000) 8.320 22.337 ( 8.320 -0.119 0.000) 8.320======================= Grid point 378 (83/84) =======================q-point: (-0.54 -0.46 0.46)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 147Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.010 ( -0.000 -7.009 0.000) 7.009 1.342 ( -0.000 -30.627 0.000) 30.627 1.626 ( -0.000 -10.486 0.000) 10.486 1.931 ( -0.000 -23.359 0.000) 23.359 2.678 ( -0.000 -9.799 0.000) 9.799 2.802 ( -0.000 -19.781 0.000) 19.781 3.496 ( -0.000 -1.614 0.000) 1.614 3.971 ( -0.000 -48.693 0.000) 48.693 4.587 ( -0.000 -9.493 0.000) 9.493 4.887 ( -0.000 -33.916 0.000) 33.916 5.499 ( -0.000 -8.753 0.000) 8.753 5.712 ( -0.000 -29.346 0.000) 29.346 7.453 ( 0.000 5.600 -0.000) 5.600 7.480 ( 0.000 3.062 -0.000) 3.062 7.917 ( -0.000 -3.013 0.000) 3.013 7.959 ( -0.000 -6.470 0.000) 6.470 8.650 ( 0.000 5.170 -0.000) 5.170 8.781 ( 0.000 7.028 -0.000) 7.028 8.887 ( -0.000 -2.228 0.000) 2.228 8.914 ( -0.000 -20.562 0.000) 20.562 9.897 ( 0.000 10.554 -0.000) 10.554 9.990 ( 0.000 4.107 -0.000) 4.107 10.686 ( 0.000 4.267 -0.000) 4.267 10.700 ( 0.000 4.213 -0.000) 4.213 10.748 ( 0.000 16.781 -0.000) 16.781 11.106 ( 0.000 1.807 -0.000) 1.807 11.313 ( 0.000 8.084 -0.000) 8.084 11.885 ( -0.000 -19.849 0.000) 19.849 12.753 ( 0.000 21.199 -0.000) 21.199 13.221 ( 0.000 8.162 -0.000) 8.162 13.268 ( -0.000 -5.580 0.000) 5.580 13.750 ( -0.000 -22.645 0.000) 22.645 15.331 ( 0.000 2.426 -0.000) 2.426 15.482 ( -0.000 -11.187 0.000) 11.187 16.209 ( 0.000 45.268 -0.000) 45.268 16.458 ( 0.000 30.845 -0.000) 30.845 17.705 ( 0.000 1.170 -0.000) 1.170 17.793 ( -0.000 -3.833 0.000) 3.833 22.027 ( 0.000 0.157 -0.000) 0.157 22.056 ( -0.000 -0.800 0.000) 0.800 22.136 ( 0.000 0.503 -0.000) 0.503 22.367 ( -0.000 -13.882 0.000) 13.882======================= Grid point 416 (84/84) =======================q-point: ( 0.50 0.50 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 Number of triplets: 56Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.933 ( 0.000 0.000 0.000) 0.000 0.933 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 -0.000 0.000) 0.000 1.513 ( 0.000 -0.000 0.000) 0.000 2.580 ( 0.000 -0.000 0.000) 0.000 2.580 ( 0.000 0.000 0.000) 0.000 3.481 ( 0.000 -0.000 0.000) 0.000 3.481 ( 0.000 -0.000 0.000) 0.000 4.482 ( 0.000 -0.000 0.000) 0.000 4.482 ( 0.000 -0.000 0.000) 0.000 5.412 ( 0.000 -0.000 0.000) 0.000 5.412 ( 0.000 -0.000 0.000) 0.000 7.523 ( -0.000 -0.000 0.000) 0.000 7.523 ( 0.000 -0.000 0.000) 0.000 7.887 ( 0.000 -0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 -0.000 0.000) 0.000 8.704 ( 0.000 -0.000 0.000) 0.000 8.870 ( -0.000 -0.000 0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 11.428 ( 0.000 0.000 0.000) 0.000 13.211 ( 0.000 0.000 0.000) 0.000 13.211 ( 0.000 0.000 0.000) 0.000 13.304 ( 0.000 -0.000 0.000) 0.000 13.304 ( 0.000 -0.000 0.000) 0.000 15.358 ( 0.000 0.000 0.000) 0.000 15.358 ( 0.000 0.000 0.000) 0.000 16.834 ( 0.000 0.000 0.000) 0.000 16.834 ( 0.000 0.000 0.000) 0.000 17.717 ( -0.000 -0.000 0.000) 0.000 17.717 ( -0.000 -0.000 0.000) 0.000 22.029 ( 0.000 0.000 0.000) 0.000 22.029 ( 0.000 0.000 0.000) 0.000 22.141 ( 0.000 0.000 0.000) 0.000 22.141 ( 0.000 0.000 0.000) 0.000=================== End of collection of collisions ===================----------- Thermal conductivity (W/m-k) with tetrahedron method -----------# T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/28392 10.0 1981.353 1981.353 2084.912 -0.000 -0.000 0.000 3/28392 20.0 637.706 637.706 468.316 -0.000 -0.000 0.000 3/28392 30.0 403.711 403.711 217.783 -0.000 -0.000 0.000 3/28392 40.0 264.937 264.937 124.081 -0.000 -0.000 0.000 3/28392 50.0 170.711 170.711 74.815 -0.000 -0.000 0.000 3/28392 60.0 111.605 111.605 46.921 -0.000 -0.000 0.000 3/28392 70.0 76.668 76.668 30.875 -0.000 -0.000 0.000 3/28392 80.0 55.946 55.946 21.432 -0.000 -0.000 0.000 3/28392 90.0 43.166 43.166 15.662 -0.000 -0.000 0.000 3/28392 100.0 34.877 34.877 11.974 -0.000 -0.000 0.000 3/28392 110.0 29.225 29.225 9.511 -0.000 -0.000 0.000 3/28392 120.0 25.193 25.193 7.796 -0.000 -0.000 0.000 3/28392 130.0 22.200 22.200 6.557 -0.000 -0.000 0.000 3/28392 140.0 19.902 19.902 5.634 -0.000 -0.000 0.000 3/28392 150.0 18.085 18.085 4.926 -0.000 -0.000 0.000 3/28392 160.0 16.612 16.612 4.371 -0.000 -0.000 0.000 3/28392 170.0 15.393 15.393 3.925 -0.000 -0.000 0.000 3/28392 180.0 14.366 14.366 3.561 -0.000 -0.000 0.000 3/28392 190.0 13.486 13.486 3.259 -0.000 -0.000 0.000 3/28392 200.0 12.723 12.723 3.005 -0.000 -0.000 0.000 3/28392 210.0 12.053 12.053 2.789 -0.000 -0.000 0.000 3/28392 220.0 11.459 11.459 2.602 -0.000 -0.000 0.000 3/28392 230.0 10.928 10.928 2.440 -0.000 -0.000 0.000 3/28392 240.0 10.450 10.450 2.297 -0.000 -0.000 0.000 3/28392 250.0 10.016 10.016 2.171 -0.000 -0.000 0.000 3/28392 260.0 9.620 9.620 2.059 -0.000 -0.000 0.000 3/28392 270.0 9.257 9.257 1.958 -0.000 -0.000 0.000 3/28392 280.0 8.923 8.923 1.867 -0.000 -0.000 0.000 3/28392 290.0 8.614 8.614 1.785 -0.000 -0.000 0.000 3/28392 300.0 8.328 8.328 1.710 -0.000 -0.000 0.000 3/28392 310.0 8.061 8.061 1.641 -0.000 -0.000 0.000 3/28392 320.0 7.811 7.811 1.578 -0.000 -0.000 0.000 3/28392 330.0 7.578 7.578 1.520 -0.000 -0.000 0.000 3/28392 340.0 7.358 7.358 1.466 -0.000 -0.000 0.000 3/28392 350.0 7.152 7.152 1.416 -0.000 -0.000 0.000 3/28392 360.0 6.957 6.957 1.370 -0.000 -0.000 0.000 3/28392 370.0 6.773 6.773 1.326 -0.000 -0.000 0.000 3/28392 380.0 6.599 6.599 1.286 -0.000 -0.000 0.000 3/28392 390.0 6.434 6.434 1.248 -0.000 -0.000 0.000 3/28392 400.0 6.277 6.277 1.212 -0.000 -0.000 0.000 3/28392 410.0 6.128 6.128 1.178 -0.000 -0.000 0.000 3/28392 420.0 5.986 5.986 1.147 -0.000 -0.000 0.000 3/28392 430.0 5.851 5.851 1.117 -0.000 -0.000 0.000 3/28392 440.0 5.722 5.722 1.088 -0.000 -0.000 0.000 3/28392 450.0 5.598 5.598 1.061 -0.000 -0.000 0.000 3/28392 460.0 5.480 5.480 1.036 -0.000 -0.000 0.000 3/28392 470.0 5.367 5.367 1.011 -0.000 -0.000 0.000 3/28392 480.0 5.258 5.258 0.988 -0.000 -0.000 0.000 3/28392 490.0 5.154 5.154 0.966 -0.000 -0.000 0.000 3/28392 500.0 5.054 5.054 0.945 -0.000 -0.000 0.000 3/28392 510.0 4.958 4.958 0.925 -0.000 -0.000 0.000 3/28392 520.0 4.865 4.865 0.906 -0.000 -0.000 0.000 3/28392 530.0 4.776 4.776 0.887 -0.000 -0.000 0.000 3/28392 540.0 4.690 4.690 0.870 -0.000 -0.000 0.000 3/28392 550.0 4.607 4.607 0.853 -0.000 -0.000 0.000 3/28392 560.0 4.527 4.527 0.836 -0.000 -0.000 0.000 3/28392 570.0 4.450 4.450 0.821 -0.000 -0.000 0.000 3/28392 580.0 4.376 4.376 0.805 -0.000 -0.000 0.000 3/28392 590.0 4.303 4.303 0.791 -0.000 -0.000 0.000 3/28392 600.0 4.234 4.234 0.777 -0.000 -0.000 0.000 3/28392 610.0 4.166 4.166 0.763 -0.000 -0.000 0.000 3/28392 620.0 4.101 4.101 0.750 -0.000 -0.000 0.000 3/28392 630.0 4.038 4.038 0.738 -0.000 -0.000 0.000 3/28392 640.0 3.976 3.976 0.726 -0.000 -0.000 0.000 3/28392 650.0 3.917 3.917 0.714 -0.000 -0.000 0.000 3/28392 660.0 3.859 3.859 0.703 -0.000 -0.000 0.000 3/28392 670.0 3.803 3.803 0.692 -0.000 -0.000 0.000 3/28392 680.0 3.748 3.748 0.681 -0.000 -0.000 0.000 3/28392 690.0 3.695 3.695 0.671 -0.000 -0.000 0.000 3/28392 700.0 3.644 3.644 0.661 -0.000 -0.000 0.000 3/28392 710.0 3.594 3.594 0.651 -0.000 -0.000 0.000 3/28392 720.0 3.545 3.545 0.641 -0.000 -0.000 0.000 3/28392 730.0 3.498 3.498 0.632 -0.000 -0.000 0.000 3/28392 740.0 3.452 3.452 0.623 -0.000 -0.000 0.000 3/28392 750.0 3.407 3.407 0.615 -0.000 -0.000 0.000 3/28392 760.0 3.363 3.363 0.606 -0.000 -0.000 0.000 3/28392 770.0 3.321 3.321 0.598 -0.000 -0.000 0.000 3/28392 780.0 3.279 3.279 0.590 -0.000 -0.000 0.000 3/28392 790.0 3.239 3.239 0.583 -0.000 -0.000 0.000 3/28392 800.0 3.199 3.199 0.575 -0.000 -0.000 0.000 3/28392 810.0 3.160 3.160 0.568 -0.000 -0.000 0.000 3/28392 820.0 3.123 3.123 0.561 -0.000 -0.000 0.000 3/28392 830.0 3.086 3.086 0.554 -0.000 -0.000 0.000 3/28392 840.0 3.050 3.050 0.547 -0.000 -0.000 0.000 3/28392 850.0 3.015 3.015 0.540 -0.000 -0.000 0.000 3/28392 860.0 2.981 2.981 0.534 -0.000 -0.000 0.000 3/28392 870.0 2.947 2.947 0.527 -0.000 -0.000 0.000 3/28392 880.0 2.914 2.914 0.521 -0.000 -0.000 0.000 3/28392 890.0 2.882 2.882 0.515 -0.000 -0.000 0.000 3/28392 900.0 2.851 2.851 0.509 -0.000 -0.000 0.000 3/28392 910.0 2.820 2.820 0.504 -0.000 -0.000 0.000 3/28392 920.0 2.790 2.790 0.498 -0.000 -0.000 0.000 3/28392 930.0 2.761 2.761 0.493 -0.000 -0.000 0.000 3/28392 940.0 2.732 2.732 0.487 -0.000 -0.000 0.000 3/28392 950.0 2.704 2.704 0.482 -0.000 -0.000 0.000 3/28392 960.0 2.677 2.677 0.477 -0.000 -0.000 0.000 3/28392 970.0 2.649 2.649 0.472 -0.000 -0.000 0.000 3/28392 980.0 2.623 2.623 0.467 -0.000 -0.000 0.000 3/28392 990.0 2.597 2.597 0.462 -0.000 -0.000 0.000 3/28392 1000.0 2.572 2.572 0.457 -0.000 -0.000 0.000 3/28392Thermal conductivity related properties were written into "kappa-m11352.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 01:45:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|